Should you encounter any unexpected behaviour,
please let us know.

STDOUT:

CUTOFF set to default value (CUTOFF=8)
Build Tirion matrix:
 Pdbmat> Computes the Hessian matrix, using an Elastic Network Model.
 Pdbmat> Version 3.50, Fevrier 2004.    

 Pdbmat> Options to be read in pdbmat.dat file.

 Pdbmat> Coordinate filename     = 2402141427352770497.atom

 Pdbmat> Distance cutoff         =       8.00
         Force constant          =      10.00
         Origin of mass values   =       CONS
 Pdbmat> Levelshift              =    1.0E-09
         PRINTing level          =          2

 Pdbmat> Coordinate file 2402141427352770497.atom to be opened.

 Openam> File opened: 2402141427352770497.atom

 Pdbmat> Coordinate file in PDB format.

 Rdatompdb> Reading pdb file.
 Rdatompdb> End of file reached.
 Rdatompdb> Number of I/O errors:      0

 Rdatompdb> Number of residues found =    129
            First residue number     =      1
            Last  residue number     =    129
            Number of atoms found    =   1960
            Mean number per residue  =     15.2

 Pdbmat> Coordinate statistics: 
 =    41.121682 +/-     7.328303 From:    20.841000 To:    59.435000
 =    40.917971 +/-     9.513808 From:    19.473000 To:    63.670000
 =    34.668192 +/-     7.383851 From:    18.629000 To:    50.521000
 Pdbmat> Masses are all set to one.

 Openam> File opened: pdbmat.xyzm
 Pdbmat> Coordinates and masses considered are saved.

 Openam> File opened: pdbmat.sdijb

 Pdbmat> Matrix statistics:

 Pdbmat> The matrix is   7.7342 % Filled.
 Pdbmat>      1337254  non-zero elements.
 Pdbmat>       147296 atom-atom interactions.

 Pdbmat> Number per atom=    150.30 +/-     47.39
         Maximum number =    243
         Minimum number =     30

 Pdbmat> Matrix trace   = 2.945920E+06
 Pdbmat> Larger element =  864.606    
 Pdbmat>      0 elements larger than +/-  1.0E+10

 Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
129 non-zero elements, NRBL set to 1
Diagonalize Tirion matrix using diagrtb
 Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
 Diagrtb> Version 2.52, November 2004. 
 Diagrtb> Options to be read in diagrtb.dat file.

 Diagrtb> Options taken into account:

 MATRix filename          = pdbmat.sdijb
 COORdinates filename     = 2402141427352770497.atom
 Eigenvector OUTPut file  = matrix.eigenrtb
 Nb of VECTors required   =        106
 EigeNVALues chosen       =       LOWE
 Type of SUBStructuring   =       NONE
 Nb of residues per BLOck =          1
 Origin of MASS values    =       CONS
 MATRix FORMat            =       BINA
 Temporary files cleaning =       ALL 
 Output PRINting level    =          2

 Diagrtb> Memory allocation for Blocpdb.

 Blocpdb> Entering in.

 Openam> file on opening on unit     10:
 diagrtb_work.xyzm   

 Blocpdb> Coordinate file 2402141427352770497.atom to be opened.

 Openam> file on opening on unit     11:
 2402141427352770497.atom                                                                                                        

 Blocpdb> Coordinate file in PDB format.

 Blocpdb>  1960 atoms picked in pdb file.
 Blocpdb>   All masses set to unity.
 Blocpdb> Coordinate file is rewritten.

 Blocpdb> Substructuring:
 Blocpdb>     1 residue(s) per block.
 Blocpdb>   129 residues.
 Blocpdb>    24 atoms in block      1
 Block first atom:      1
 Blocpdb>    16 atoms in block      2
 Block first atom:     25
 Blocpdb>    20 atoms in block      3
 Block first atom:     41
 Blocpdb>     7 atoms in block      4
 Block first atom:     61
 Blocpdb>    24 atoms in block      5
 Block first atom:     68
 Blocpdb>    10 atoms in block      6
 Block first atom:     92
 Blocpdb>    15 atoms in block      7
 Block first atom:    102
 Blocpdb>    19 atoms in block      8
 Block first atom:    117
 Blocpdb>    10 atoms in block      9
 Block first atom:    136
 Blocpdb>    10 atoms in block     10
 Block first atom:    146
 Blocpdb>    10 atoms in block     11
 Block first atom:    156
 Blocpdb>    17 atoms in block     12
 Block first atom:    166
 Blocpdb>    22 atoms in block     13
 Block first atom:    183
 Blocpdb>    24 atoms in block     14
 Block first atom:    205
 Blocpdb>    17 atoms in block     15
 Block first atom:    229
 Blocpdb>     7 atoms in block     16
 Block first atom:    246
 Blocpdb>    19 atoms in block     17
 Block first atom:    253
 Blocpdb>    12 atoms in block     18
 Block first atom:    272
 Blocpdb>    14 atoms in block     19
 Block first atom:    284
 Blocpdb>    21 atoms in block     20
 Block first atom:    298
 Blocpdb>    24 atoms in block     21
 Block first atom:    319
 Blocpdb>     7 atoms in block     22
 Block first atom:    343
 Blocpdb>    21 atoms in block     23
 Block first atom:    350
 Blocpdb>    11 atoms in block     24
 Block first atom:    371
 Blocpdb>    19 atoms in block     25
 Block first atom:    382
 Blocpdb>     7 atoms in block     26
 Block first atom:    401
 Blocpdb>    14 atoms in block     27
 Block first atom:    408
 Blocpdb>    24 atoms in block     28
 Block first atom:    422
 Blocpdb>    16 atoms in block     29
 Block first atom:    446
 Blocpdb>    10 atoms in block     30
 Block first atom:    462
 Blocpdb>    10 atoms in block     31
 Block first atom:    472
 Blocpdb>    10 atoms in block     32
 Block first atom:    482
 Blocpdb>    22 atoms in block     33
 Block first atom:    492
 Blocpdb>    20 atoms in block     34
 Block first atom:    514
 Blocpdb>    15 atoms in block     35
 Block first atom:    534
 Blocpdb>    11 atoms in block     36
 Block first atom:    549
 Blocpdb>    14 atoms in block     37
 Block first atom:    560
 Blocpdb>    20 atoms in block     38
 Block first atom:    574
 Blocpdb>    14 atoms in block     39
 Block first atom:    594
 Blocpdb>    14 atoms in block     40
 Block first atom:    608
 Blocpdb>    17 atoms in block     41
 Block first atom:    622
 Blocpdb>    10 atoms in block     42
 Block first atom:    639
 Blocpdb>    14 atoms in block     43
 Block first atom:    649
 Blocpdb>    14 atoms in block     44
 Block first atom:    663
 Blocpdb>    24 atoms in block     45
 Block first atom:    677
 Blocpdb>    14 atoms in block     46
 Block first atom:    701
 Blocpdb>    14 atoms in block     47
 Block first atom:    715
 Blocpdb>    12 atoms in block     48
 Block first atom:    729
 Blocpdb>     7 atoms in block     49
 Block first atom:    741
 Blocpdb>    11 atoms in block     50
 Block first atom:    748
 Blocpdb>    14 atoms in block     51
 Block first atom:    759
 Blocpdb>    12 atoms in block     52
 Block first atom:    773
 Blocpdb>    21 atoms in block     53
 Block first atom:    785
 Blocpdb>     7 atoms in block     54
 Block first atom:    806
 Blocpdb>    19 atoms in block     55
 Block first atom:    813
 Blocpdb>    19 atoms in block     56
 Block first atom:    832
 Blocpdb>    17 atoms in block     57
 Block first atom:    851
 Blocpdb>    19 atoms in block     58
 Block first atom:    868
 Blocpdb>    14 atoms in block     59
 Block first atom:    887
 Blocpdb>    11 atoms in block     60
 Block first atom:    901
 Blocpdb>    24 atoms in block     61
 Block first atom:    912
 Blocpdb>    24 atoms in block     62
 Block first atom:    936
 Blocpdb>    24 atoms in block     63
 Block first atom:    960
 Blocpdb>    10 atoms in block     64
 Block first atom:    984
 Blocpdb>    14 atoms in block     65
 Block first atom:    994
 Blocpdb>    12 atoms in block     66
 Block first atom:   1008
 Blocpdb>     7 atoms in block     67
 Block first atom:   1020
 Blocpdb>    24 atoms in block     68
 Block first atom:   1027
 Blocpdb>    14 atoms in block     69
 Block first atom:   1051
 Blocpdb>    14 atoms in block     70
 Block first atom:   1065
 Blocpdb>     7 atoms in block     71
 Block first atom:   1079
 Blocpdb>    11 atoms in block     72
 Block first atom:   1086
 Blocpdb>    24 atoms in block     73
 Block first atom:   1097
 Blocpdb>    14 atoms in block     74
 Block first atom:   1121
 Blocpdb>    19 atoms in block     75
 Block first atom:   1135
 Blocpdb>    10 atoms in block     76
 Block first atom:   1154
 Blocpdb>    14 atoms in block     77
 Block first atom:   1164
 Blocpdb>    19 atoms in block     78
 Block first atom:   1178
 Blocpdb>    14 atoms in block     79
 Block first atom:   1197
 Blocpdb>    10 atoms in block     80
 Block first atom:   1211
 Blocpdb>    11 atoms in block     81
 Block first atom:   1221
 Blocpdb>    10 atoms in block     82
 Block first atom:   1232
 Blocpdb>    19 atoms in block     83
 Block first atom:   1242
 Blocpdb>    19 atoms in block     84
 Block first atom:   1261
 Blocpdb>    11 atoms in block     85
 Block first atom:   1280
 Blocpdb>    11 atoms in block     86
 Block first atom:   1291
 Blocpdb>    12 atoms in block     87
 Block first atom:   1302
 Blocpdb>    19 atoms in block     88
 Block first atom:   1314
 Blocpdb>    14 atoms in block     89
 Block first atom:   1333
 Blocpdb>    10 atoms in block     90
 Block first atom:   1347
 Blocpdb>    11 atoms in block     91
 Block first atom:   1357
 Blocpdb>    16 atoms in block     92
 Block first atom:   1368
 Blocpdb>    14 atoms in block     93
 Block first atom:   1384
 Blocpdb>    10 atoms in block     94
 Block first atom:   1398
 Blocpdb>    10 atoms in block     95
 Block first atom:   1408
 Blocpdb>    22 atoms in block     96
 Block first atom:   1418
 Blocpdb>    22 atoms in block     97
 Block first atom:   1440
 Blocpdb>    19 atoms in block     98
 Block first atom:   1462
 Blocpdb>    16 atoms in block     99
 Block first atom:   1481
 Blocpdb>    11 atoms in block    100
 Block first atom:   1497
 Blocpdb>    12 atoms in block    101
 Block first atom:   1508
 Blocpdb>     7 atoms in block    102
 Block first atom:   1520
 Blocpdb>    14 atoms in block    103
 Block first atom:   1527
 Blocpdb>     7 atoms in block    104
 Block first atom:   1541
 Blocpdb>    17 atoms in block    105
 Block first atom:   1548
 Blocpdb>    14 atoms in block    106
 Block first atom:   1565
 Blocpdb>    10 atoms in block    107
 Block first atom:   1579
 Blocpdb>    24 atoms in block    108
 Block first atom:   1589
 Blocpdb>    16 atoms in block    109
 Block first atom:   1613
 Blocpdb>    10 atoms in block    110
 Block first atom:   1629
 Blocpdb>    24 atoms in block    111
 Block first atom:   1639
 Blocpdb>    24 atoms in block    112
 Block first atom:   1663
 Blocpdb>    14 atoms in block    113
 Block first atom:   1687
 Blocpdb>    24 atoms in block    114
 Block first atom:   1701
 Blocpdb>    10 atoms in block    115
 Block first atom:   1725
 Blocpdb>    22 atoms in block    116
 Block first atom:   1735
 Blocpdb>     7 atoms in block    117
 Block first atom:   1757
 Blocpdb>    14 atoms in block    118
 Block first atom:   1764
 Blocpdb>    12 atoms in block    119
 Block first atom:   1778
 Blocpdb>    16 atoms in block    120
 Block first atom:   1790
 Blocpdb>    17 atoms in block    121
 Block first atom:   1806
 Blocpdb>    10 atoms in block    122
 Block first atom:   1823
 Blocpdb>    24 atoms in block    123
 Block first atom:   1833
 Blocpdb>    19 atoms in block    124
 Block first atom:   1857
 Blocpdb>    24 atoms in block    125
 Block first atom:   1876
 Blocpdb>     7 atoms in block    126
 Block first atom:   1900
 Blocpdb>    10 atoms in block    127
 Block first atom:   1907
 Blocpdb>    24 atoms in block    128
 Block first atom:   1917
 Blocpdb>    20 atoms in block    129
 Block first atom:   1940

 Blocpdb>   129 blocks.

 Blocpdb> At most,     24 atoms in each of them.
 Blocpdb> At least,     7 atoms in each of them.

 Blocpdb> Normal end of Blocpdb.

 Diagrtb> Memory allocation for Prepmat.
 Diagrtb> Memory allocation for RTB.
 Diagrtb> Memory allocation for Diagstd.
 Diagrtb> Memory allocation for RTB_to_modes.

 Prepmat> Entering in.
 Prepmat> Rewriting of the matrix begins.

 Prepmat>      1337383 matrix lines read.

 Prepmat> Matrix order    =       5880

 Prepmat> Matrix trace    =    2945920.0000
 Prepmat> Last element read:    5880   5880        96.4674
 Prepmat>         8386 lines saved.
 Prepmat>         6498 empty lines.
 Prepmat> Number of lines on output is as expected.
 Prepmat> Normal end of Prepmat.

 RTB> Entering in.
 RTB> Number of atoms found in temporary coordinate file:  1960
 RTB> Total mass =        1960.0000
 RTB> Number of atoms found in matrix:  1960
 RTB> Number of blocks =   129
 RTB> Projection begins.
 RTB> Projected matrix is being saved.
 RTB> Projected matrix trace =  355578.1365
 RTB>     65997 non-zero elements.
 RTB> Normal end of RTB.

 Diagstd> Entering in.

 Openam> file on opening on unit     10:
 diagrtb_work.sdijb                      
 Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb                      
 Diagstd> CERFACS matrix format.
 Diagstd> Projected matrix order =      774
 Diagstd> Nb of non-zero elements:    65997
 Diagstd> Projected matrix trace =  355578.1365

 Openam> file on opening on unit     11:
 diagrtb_work.eigenfacs                  
 Diagstd> Diagonalization.

 Diagstd>    774 eigenvectors are computed. 
 Diagstd>    106 of them to be saved. 

 Diagstd> Sum of eigenvalues = 355578.1365
 Diagstd> Best zero-eigenvalue found  :     0.000000

 Diagstd>      6 zero-eigenvalues, that is, below or equal to:    0.0000000

 Diagstd> Selected eigenvalues: 
      0.0000000      0.0000000      0.0000000      0.0000000      0.0000000
      0.0000000      8.8077796     10.8963419     13.2452244     17.3463416
     25.9161349     32.7748310     33.7568130     40.0096755     41.0606289
     46.3007246     47.0659554     49.6354872     51.8641956     53.6502387
     61.3431051     63.2330976     65.3229063     67.2991264     69.2524960
     72.2771791     75.3396152     75.5949451     79.0481769     81.9692079
     83.3806778     85.0214743     86.4567280     86.9576495     92.2973140
     95.3732012     97.9594462     99.2344804    100.9891744    102.2023776
    105.0531814    108.6715310    111.1618344    111.3783605    113.5469112
    116.8569169    118.7172434    122.4170551    125.3634928    128.2253794
    129.3194346    130.5691429    133.6288965    134.7979868    135.5533387
    137.5587836    138.7680838    139.4112844    141.7117042    143.4846235
    145.8784135    146.7141850    148.4762959    150.1083003    153.0628945
    154.0616160    155.2349494    155.7518126    158.3147396    160.2598433
    161.2886142    163.0585634    164.5087879    167.9237782    169.2304608
    169.8631264    173.4842795    174.6929465    175.2367473    177.7297241
    181.1427349    182.1562376    185.5233717    186.0481933    187.4219125
    190.0021260    190.8216657    192.3887661    194.9447436    195.7722432
    197.0130709    199.3602941    202.2575641    203.9208284    205.7946548
    206.5477100    207.9996838    209.9436857    210.5786676    210.8591933
    212.3139884    213.1763566    214.9473732    215.9140837    218.5490930
    220.1882889

 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
      0.0034308      0.0034312      0.0034325      0.0034327      0.0034333
      0.0034360    322.2763962    358.4558238    395.2072844    452.2715070
    552.8157351    621.6780168    630.9224762    686.8751343    695.8378985
    738.9059680    744.9870439    765.0528276    782.0402455    795.3918004
    850.5075202    863.5102737    877.6634840    890.8405831    903.6765144
    923.2001730    942.5556024    944.1514366    965.4753926    983.1519603
    991.5805307   1001.2893479   1009.7053975   1012.6262386   1043.2534069
   1060.4945970   1074.7771899   1081.7491938   1091.2711935   1097.8064547
   1113.0120974   1132.0175841   1144.9147031   1146.0292194   1157.1321027
   1173.8767261   1183.1837114   1201.4791655   1215.8523040   1229.6521590
   1234.8868867   1240.8393482   1255.2940530   1260.7732427   1264.3007328
   1273.6187487   1279.2047869   1282.1659652   1292.7011665   1300.7623604
   1311.5679515   1315.3197250   1323.1949738   1330.4471697   1343.4770166
   1347.8529229   1352.9758119   1355.2263436   1366.3311062   1374.6990645
   1379.1043727   1386.6507348   1392.8034426   1407.1855889   1412.6499186
   1415.2880405   1430.2940884   1435.2678783   1437.5000615   1447.6891303
   1461.5232902   1465.6062354   1479.0899786   1481.1805782   1486.6387983
   1496.8370020   1500.0616962   1506.2086413   1516.1809829   1519.3955105
   1524.2029595   1533.2557892   1544.3568778   1550.6938825   1557.8022454
   1560.6498410   1566.1257046   1573.4273280   1575.8049742   1576.8542413
   1582.2845398   1585.4947123   1592.0670398   1595.6431274   1605.3501927
   1611.3592948

 Diagstd> Normal end.

 Rtb_to_modes> Entering in.

 Rtb_to_modes> Number of atoms in temporary block-file =   1960
 Rtb_to_modes> Number of blocs =    129

 Openam> file on opening on unit     10:
 diagrtb_work.eigenfacs                  

 Openam> file on opening on unit     11:
 matrix.eigenrtb                         

 Rdmodfacs> Entering in.

 Rdmodfacs> Old Blzpack file format detected.

 Rdmodfacs> Eigenvector number:     1
 Rdmodfacs> Corresponding eigenvalue:  9.9816E-10

 Rdmodfacs> Eigenvector number:     2
 Rdmodfacs> Corresponding eigenvalue:  9.9841E-10

 Rdmodfacs> Eigenvector number:     3
 Rdmodfacs> Corresponding eigenvalue:  9.9914E-10

 Rdmodfacs> Eigenvector number:     4
 Rdmodfacs> Corresponding eigenvalue:  9.9927E-10

 Rdmodfacs> Eigenvector number:     5
 Rdmodfacs> Corresponding eigenvalue:  9.9963E-10

 Rdmodfacs> Eigenvector number:     6
 Rdmodfacs> Corresponding eigenvalue:  1.0012E-09

 Rdmodfacs> Eigenvector number:     7
 Rdmodfacs> Corresponding eigenvalue:   8.808    

 Rdmodfacs> Eigenvector number:     8
 Rdmodfacs> Corresponding eigenvalue:   10.90    

 Rdmodfacs> Eigenvector number:     9
 Rdmodfacs> Corresponding eigenvalue:   13.25    

 Rdmodfacs> Eigenvector number:    10
 Rdmodfacs> Corresponding eigenvalue:   17.35    

 Rdmodfacs> Eigenvector number:    11
 Rdmodfacs> Corresponding eigenvalue:   25.92    

 Rdmodfacs> Eigenvector number:    12
 Rdmodfacs> Corresponding eigenvalue:   32.77    

 Rdmodfacs> Eigenvector number:    13
 Rdmodfacs> Corresponding eigenvalue:   33.76    

 Rdmodfacs> Eigenvector number:    14
 Rdmodfacs> Corresponding eigenvalue:   40.01    

 Rdmodfacs> Eigenvector number:    15
 Rdmodfacs> Corresponding eigenvalue:   41.06    

 Rdmodfacs> Eigenvector number:    16
 Rdmodfacs> Corresponding eigenvalue:   46.30    

 Rdmodfacs> Eigenvector number:    17
 Rdmodfacs> Corresponding eigenvalue:   47.07    

 Rdmodfacs> Eigenvector number:    18
 Rdmodfacs> Corresponding eigenvalue:   49.64    

 Rdmodfacs> Eigenvector number:    19
 Rdmodfacs> Corresponding eigenvalue:   51.86    

 Rdmodfacs> Eigenvector number:    20
 Rdmodfacs> Corresponding eigenvalue:   53.65    

 Rdmodfacs> Eigenvector number:    21
 Rdmodfacs> Corresponding eigenvalue:   61.34    

 Rdmodfacs> Eigenvector number:    22
 Rdmodfacs> Corresponding eigenvalue:   63.23    

 Rdmodfacs> Eigenvector number:    23
 Rdmodfacs> Corresponding eigenvalue:   65.32    

 Rdmodfacs> Eigenvector number:    24
 Rdmodfacs> Corresponding eigenvalue:   67.30    

 Rdmodfacs> Eigenvector number:    25
 Rdmodfacs> Corresponding eigenvalue:   69.25    

 Rdmodfacs> Eigenvector number:    26
 Rdmodfacs> Corresponding eigenvalue:   72.28    

 Rdmodfacs> Eigenvector number:    27
 Rdmodfacs> Corresponding eigenvalue:   75.34    

 Rdmodfacs> Eigenvector number:    28
 Rdmodfacs> Corresponding eigenvalue:   75.59    

 Rdmodfacs> Eigenvector number:    29
 Rdmodfacs> Corresponding eigenvalue:   79.05    

 Rdmodfacs> Eigenvector number:    30
 Rdmodfacs> Corresponding eigenvalue:   81.97    

 Rdmodfacs> Eigenvector number:    31
 Rdmodfacs> Corresponding eigenvalue:   83.38    

 Rdmodfacs> Eigenvector number:    32
 Rdmodfacs> Corresponding eigenvalue:   85.02    

 Rdmodfacs> Eigenvector number:    33
 Rdmodfacs> Corresponding eigenvalue:   86.46    

 Rdmodfacs> Eigenvector number:    34
 Rdmodfacs> Corresponding eigenvalue:   86.96    

 Rdmodfacs> Eigenvector number:    35
 Rdmodfacs> Corresponding eigenvalue:   92.30    

 Rdmodfacs> Eigenvector number:    36
 Rdmodfacs> Corresponding eigenvalue:   95.37    

 Rdmodfacs> Eigenvector number:    37
 Rdmodfacs> Corresponding eigenvalue:   97.96    

 Rdmodfacs> Eigenvector number:    38
 Rdmodfacs> Corresponding eigenvalue:   99.23    

 Rdmodfacs> Eigenvector number:    39
 Rdmodfacs> Corresponding eigenvalue:   101.0    

 Rdmodfacs> Eigenvector number:    40
 Rdmodfacs> Corresponding eigenvalue:   102.2    

 Rdmodfacs> Eigenvector number:    41
 Rdmodfacs> Corresponding eigenvalue:   105.1    

 Rdmodfacs> Eigenvector number:    42
 Rdmodfacs> Corresponding eigenvalue:   108.7    

 Rdmodfacs> Eigenvector number:    43
 Rdmodfacs> Corresponding eigenvalue:   111.2    

 Rdmodfacs> Eigenvector number:    44
 Rdmodfacs> Corresponding eigenvalue:   111.4    

 Rdmodfacs> Eigenvector number:    45
 Rdmodfacs> Corresponding eigenvalue:   113.5    

 Rdmodfacs> Eigenvector number:    46
 Rdmodfacs> Corresponding eigenvalue:   116.9    

 Rdmodfacs> Eigenvector number:    47
 Rdmodfacs> Corresponding eigenvalue:   118.7    

 Rdmodfacs> Eigenvector number:    48
 Rdmodfacs> Corresponding eigenvalue:   122.4    

 Rdmodfacs> Eigenvector number:    49
 Rdmodfacs> Corresponding eigenvalue:   125.4    

 Rdmodfacs> Eigenvector number:    50
 Rdmodfacs> Corresponding eigenvalue:   128.2    

 Rdmodfacs> Eigenvector number:    51
 Rdmodfacs> Corresponding eigenvalue:   129.3    

 Rdmodfacs> Eigenvector number:    52
 Rdmodfacs> Corresponding eigenvalue:   130.6    

 Rdmodfacs> Eigenvector number:    53
 Rdmodfacs> Corresponding eigenvalue:   133.6    

 Rdmodfacs> Eigenvector number:    54
 Rdmodfacs> Corresponding eigenvalue:   134.8    

 Rdmodfacs> Eigenvector number:    55
 Rdmodfacs> Corresponding eigenvalue:   135.6    

 Rdmodfacs> Eigenvector number:    56
 Rdmodfacs> Corresponding eigenvalue:   137.6    

 Rdmodfacs> Eigenvector number:    57
 Rdmodfacs> Corresponding eigenvalue:   138.8    

 Rdmodfacs> Eigenvector number:    58
 Rdmodfacs> Corresponding eigenvalue:   139.4    

 Rdmodfacs> Eigenvector number:    59
 Rdmodfacs> Corresponding eigenvalue:   141.7    

 Rdmodfacs> Eigenvector number:    60
 Rdmodfacs> Corresponding eigenvalue:   143.5    

 Rdmodfacs> Eigenvector number:    61
 Rdmodfacs> Corresponding eigenvalue:   145.9    

 Rdmodfacs> Eigenvector number:    62
 Rdmodfacs> Corresponding eigenvalue:   146.7    

 Rdmodfacs> Eigenvector number:    63
 Rdmodfacs> Corresponding eigenvalue:   148.5    

 Rdmodfacs> Eigenvector number:    64
 Rdmodfacs> Corresponding eigenvalue:   150.1    

 Rdmodfacs> Eigenvector number:    65
 Rdmodfacs> Corresponding eigenvalue:   153.1    

 Rdmodfacs> Eigenvector number:    66
 Rdmodfacs> Corresponding eigenvalue:   154.1    

 Rdmodfacs> Eigenvector number:    67
 Rdmodfacs> Corresponding eigenvalue:   155.2    

 Rdmodfacs> Eigenvector number:    68
 Rdmodfacs> Corresponding eigenvalue:   155.8    

 Rdmodfacs> Eigenvector number:    69
 Rdmodfacs> Corresponding eigenvalue:   158.3    

 Rdmodfacs> Eigenvector number:    70
 Rdmodfacs> Corresponding eigenvalue:   160.3    

 Rdmodfacs> Eigenvector number:    71
 Rdmodfacs> Corresponding eigenvalue:   161.3    

 Rdmodfacs> Eigenvector number:    72
 Rdmodfacs> Corresponding eigenvalue:   163.1    

 Rdmodfacs> Eigenvector number:    73
 Rdmodfacs> Corresponding eigenvalue:   164.5    

 Rdmodfacs> Eigenvector number:    74
 Rdmodfacs> Corresponding eigenvalue:   167.9    

 Rdmodfacs> Eigenvector number:    75
 Rdmodfacs> Corresponding eigenvalue:   169.2    

 Rdmodfacs> Eigenvector number:    76
 Rdmodfacs> Corresponding eigenvalue:   169.9    

 Rdmodfacs> Eigenvector number:    77
 Rdmodfacs> Corresponding eigenvalue:   173.5    

 Rdmodfacs> Eigenvector number:    78
 Rdmodfacs> Corresponding eigenvalue:   174.7    

 Rdmodfacs> Eigenvector number:    79
 Rdmodfacs> Corresponding eigenvalue:   175.2    

 Rdmodfacs> Eigenvector number:    80
 Rdmodfacs> Corresponding eigenvalue:   177.7    

 Rdmodfacs> Eigenvector number:    81
 Rdmodfacs> Corresponding eigenvalue:   181.1    

 Rdmodfacs> Eigenvector number:    82
 Rdmodfacs> Corresponding eigenvalue:   182.2    

 Rdmodfacs> Eigenvector number:    83
 Rdmodfacs> Corresponding eigenvalue:   185.5    

 Rdmodfacs> Eigenvector number:    84
 Rdmodfacs> Corresponding eigenvalue:   186.0    

 Rdmodfacs> Eigenvector number:    85
 Rdmodfacs> Corresponding eigenvalue:   187.4    

 Rdmodfacs> Eigenvector number:    86
 Rdmodfacs> Corresponding eigenvalue:   190.0    

 Rdmodfacs> Eigenvector number:    87
 Rdmodfacs> Corresponding eigenvalue:   190.8    

 Rdmodfacs> Eigenvector number:    88
 Rdmodfacs> Corresponding eigenvalue:   192.4    

 Rdmodfacs> Eigenvector number:    89
 Rdmodfacs> Corresponding eigenvalue:   194.9    

 Rdmodfacs> Eigenvector number:    90
 Rdmodfacs> Corresponding eigenvalue:   195.8    

 Rdmodfacs> Eigenvector number:    91
 Rdmodfacs> Corresponding eigenvalue:   197.0    

 Rdmodfacs> Eigenvector number:    92
 Rdmodfacs> Corresponding eigenvalue:   199.4    

 Rdmodfacs> Eigenvector number:    93
 Rdmodfacs> Corresponding eigenvalue:   202.3    

 Rdmodfacs> Eigenvector number:    94
 Rdmodfacs> Corresponding eigenvalue:   203.9    

 Rdmodfacs> Eigenvector number:    95
 Rdmodfacs> Corresponding eigenvalue:   205.8    

 Rdmodfacs> Eigenvector number:    96
 Rdmodfacs> Corresponding eigenvalue:   206.5    

 Rdmodfacs> Eigenvector number:    97
 Rdmodfacs> Corresponding eigenvalue:   208.0    

 Rdmodfacs> Eigenvector number:    98
 Rdmodfacs> Corresponding eigenvalue:   209.9    

 Rdmodfacs> Eigenvector number:    99
 Rdmodfacs> Corresponding eigenvalue:   210.6    

 Rdmodfacs> Eigenvector number:   100
 Rdmodfacs> Corresponding eigenvalue:   210.9    

 Rdmodfacs> Eigenvector number:   101
 Rdmodfacs> Corresponding eigenvalue:   212.3    

 Rdmodfacs> Eigenvector number:   102
 Rdmodfacs> Corresponding eigenvalue:   213.2    

 Rdmodfacs> Eigenvector number:   103
 Rdmodfacs> Corresponding eigenvalue:   214.9    

 Rdmodfacs> Eigenvector number:   104
 Rdmodfacs> Corresponding eigenvalue:   215.9    

 Rdmodfacs> Eigenvector number:   105
 Rdmodfacs> Corresponding eigenvalue:   218.5    

 Rdmodfacs> Eigenvector number:   106
 Rdmodfacs> Corresponding eigenvalue:   220.2    

 Rtb_to_modes>  106 vectors, with    774 coordinates in vector file.

 Norm of eigenvectors in projected coordinates (one expected):
 0.99998 1.00000 1.00000 0.99999 1.00002
 0.99998 1.00000 1.00001 0.99996 0.99997
 0.99997 0.99997 0.99997 1.00000 1.00000
 1.00001 0.99999 1.00001 0.99998 1.00000
 1.00002 0.99998 0.99999 1.00001 0.99999
 0.99998 0.99997 1.00001 0.99997 0.99998
 1.00000 0.99999 1.00002 0.99998 0.99999
 1.00001 1.00001 0.99998 1.00001 1.00005
 0.99998 0.99999 1.00004 1.00000 0.99996
 1.00000 0.99999 1.00001 1.00001 1.00001
 0.99999 1.00003 1.00000 0.99999 0.99999
 0.99999 0.99999 1.00001 1.00003 0.99996
 1.00002 0.99998 0.99998 1.00001 1.00001
 1.00000 1.00001 0.99998 0.99999 1.00000
 0.99998 1.00000 1.00001 0.99997 0.99999
 0.99996 1.00001 1.00001 1.00001 1.00000
 1.00000 0.99998 0.99999 1.00002 1.00002
 1.00001 1.00002 1.00000 1.00003 0.99998
 0.99999 1.00002 0.99999 1.00000 1.00001
 1.00000 0.99997 1.00002 0.99999 1.00004
 0.99997 1.00002 0.99999 1.00002 1.00002
 1.00001

 Rtb_to_modes> RTB block-file is being read.
 Rtb_to_modes>    35280 lines found in RTB file.

 Norm of eigenvectors in cartesian coordinates (one expected):
 0.99998 1.00000 1.00000 0.99999 1.00002
 0.99998 1.00000 1.00001 0.99996 0.99997
 0.99997 0.99997 0.99997 1.00000 1.00000
 1.00001 0.99999 1.00001 0.99998 1.00000
 1.00002 0.99998 0.99999 1.00001 0.99999
 0.99998 0.99997 1.00001 0.99997 0.99998
 1.00000 0.99999 1.00002 0.99998 0.99999
 1.00001 1.00001 0.99998 1.00001 1.00005
 0.99998 0.99999 1.00004 1.00000 0.99996
 1.00000 0.99999 1.00001 1.00001 1.00001
 0.99999 1.00003 1.00000 0.99999 0.99999
 0.99999 0.99999 1.00001 1.00003 0.99996
 1.00002 0.99998 0.99998 1.00001 1.00001
 1.00000 1.00001 0.99998 0.99999 1.00000
 0.99998 1.00000 1.00001 0.99997 0.99999
 0.99996 1.00001 1.00001 1.00001 1.00000
 1.00000 0.99998 0.99999 1.00002 1.00002
 1.00001 1.00002 1.00000 1.00003 0.99998
 0.99999 1.00002 0.99999 1.00000 1.00001
 1.00000 0.99997 1.00002 0.99999 1.00004
 0.99997 1.00002 0.99999 1.00002 1.00002
 1.00001

 Orthogonality of first eigenvectors (zero expected):
 Vector   2:-0.000
 Vector   3:-0.000 0.000
 Vector   4:-0.000-0.000 0.000
 Vector   5: 0.000-0.000 0.000-0.000
 Vector   6: 0.000-0.000 0.000-0.000-0.000
 Vector   7:-0.000 0.000 0.000 0.000-0.000-0.000
 Vector   8: 0.000 0.000-0.000 0.000 0.000-0.000 0.000
 Vector   9: 0.000 0.000-0.000-0.000 0.000-0.000 0.000-0.000
 Vector  10:-0.000-0.000-0.000 0.000 0.000 0.000 0.000 0.000-0.000

 Rtb_to_modes>   106 eigenvectors saved.

 Rtb_to_modes> Normal end.

 Diagrtb> Normal end.
B-factor analysis
 Bfactors> Version 1.22, Bordeaux.                
 Getnam> Eigenvector filename ?
 Getnam> 2402141427352770497.eigenfacs

 Openam> file on opening on unit     10:
 2402141427352770497.eigenfacs                                   
 Getnam> Corresponding pdb filename ?
 Getnam> 2402141427352770497.atom

 Openam> file on opening on unit     11:
 2402141427352770497.atom                                        
 Getnum> Number of skipped eigenvectors ?
 Getnum>            0
 Getnum> Number of usefull eigenvectors ?
 Getnum>        10000
%Getnum-Err: number larger than    106 This is not allowed. Sorry.

 Rdatompdb> Reading pdb file.
 Rdatompdb> End of file reached.
 Rdatompdb> Number of I/O errors:            0

 Rdatompdb> Number of residues found =    129
            First residue number     =      1
            Last  residue number     =    129
            Number of atoms found    =   1960
            Mean number per residue  =     15.2

 Rdmodfacs> Old Blzpack file format detected.

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     1
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9816E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     2
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9841E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     3
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9914E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     4
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9927E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     5
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9963E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     6
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0012E-09

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     7
 Rdmodfacs> Valeur propre du vecteur en lecture:   8.808    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     8
 Rdmodfacs> Valeur propre du vecteur en lecture:   10.90    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     9
 Rdmodfacs> Valeur propre du vecteur en lecture:   13.25    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    10
 Rdmodfacs> Valeur propre du vecteur en lecture:   17.35    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    11
 Rdmodfacs> Valeur propre du vecteur en lecture:   25.92    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    12
 Rdmodfacs> Valeur propre du vecteur en lecture:   32.77    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    13
 Rdmodfacs> Valeur propre du vecteur en lecture:   33.76    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    14
 Rdmodfacs> Valeur propre du vecteur en lecture:   40.01    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    15
 Rdmodfacs> Valeur propre du vecteur en lecture:   41.06    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    16
 Rdmodfacs> Valeur propre du vecteur en lecture:   46.30    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    17
 Rdmodfacs> Valeur propre du vecteur en lecture:   47.07    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    18
 Rdmodfacs> Valeur propre du vecteur en lecture:   49.64    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    19
 Rdmodfacs> Valeur propre du vecteur en lecture:   51.86    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    20
 Rdmodfacs> Valeur propre du vecteur en lecture:   53.65    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    21
 Rdmodfacs> Valeur propre du vecteur en lecture:   61.34    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    22
 Rdmodfacs> Valeur propre du vecteur en lecture:   63.23    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    23
 Rdmodfacs> Valeur propre du vecteur en lecture:   65.32    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    24
 Rdmodfacs> Valeur propre du vecteur en lecture:   67.30    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    25
 Rdmodfacs> Valeur propre du vecteur en lecture:   69.25    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    26
 Rdmodfacs> Valeur propre du vecteur en lecture:   72.28    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    27
 Rdmodfacs> Valeur propre du vecteur en lecture:   75.34    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    28
 Rdmodfacs> Valeur propre du vecteur en lecture:   75.59    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    29
 Rdmodfacs> Valeur propre du vecteur en lecture:   79.05    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    30
 Rdmodfacs> Valeur propre du vecteur en lecture:   81.97    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    31
 Rdmodfacs> Valeur propre du vecteur en lecture:   83.38    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    32
 Rdmodfacs> Valeur propre du vecteur en lecture:   85.02    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    33
 Rdmodfacs> Valeur propre du vecteur en lecture:   86.46    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    34
 Rdmodfacs> Valeur propre du vecteur en lecture:   86.96    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    35
 Rdmodfacs> Valeur propre du vecteur en lecture:   92.30    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    36
 Rdmodfacs> Valeur propre du vecteur en lecture:   95.37    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    37
 Rdmodfacs> Valeur propre du vecteur en lecture:   97.96    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    38
 Rdmodfacs> Valeur propre du vecteur en lecture:   99.23    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    39
 Rdmodfacs> Valeur propre du vecteur en lecture:   101.0    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    40
 Rdmodfacs> Valeur propre du vecteur en lecture:   102.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    41
 Rdmodfacs> Valeur propre du vecteur en lecture:   105.1    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    42
 Rdmodfacs> Valeur propre du vecteur en lecture:   108.7    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    43
 Rdmodfacs> Valeur propre du vecteur en lecture:   111.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    44
 Rdmodfacs> Valeur propre du vecteur en lecture:   111.4    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    45
 Rdmodfacs> Valeur propre du vecteur en lecture:   113.5    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    46
 Rdmodfacs> Valeur propre du vecteur en lecture:   116.9    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    47
 Rdmodfacs> Valeur propre du vecteur en lecture:   118.7    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    48
 Rdmodfacs> Valeur propre du vecteur en lecture:   122.4    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    49
 Rdmodfacs> Valeur propre du vecteur en lecture:   125.4    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    50
 Rdmodfacs> Valeur propre du vecteur en lecture:   128.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    51
 Rdmodfacs> Valeur propre du vecteur en lecture:   129.3    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    52
 Rdmodfacs> Valeur propre du vecteur en lecture:   130.6    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    53
 Rdmodfacs> Valeur propre du vecteur en lecture:   133.6    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    54
 Rdmodfacs> Valeur propre du vecteur en lecture:   134.8    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    55
 Rdmodfacs> Valeur propre du vecteur en lecture:   135.6    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    56
 Rdmodfacs> Valeur propre du vecteur en lecture:   137.6    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    57
 Rdmodfacs> Valeur propre du vecteur en lecture:   138.8    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    58
 Rdmodfacs> Valeur propre du vecteur en lecture:   139.4    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    59
 Rdmodfacs> Valeur propre du vecteur en lecture:   141.7    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    60
 Rdmodfacs> Valeur propre du vecteur en lecture:   143.5    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    61
 Rdmodfacs> Valeur propre du vecteur en lecture:   145.9    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    62
 Rdmodfacs> Valeur propre du vecteur en lecture:   146.7    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    63
 Rdmodfacs> Valeur propre du vecteur en lecture:   148.5    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    64
 Rdmodfacs> Valeur propre du vecteur en lecture:   150.1    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    65
 Rdmodfacs> Valeur propre du vecteur en lecture:   153.1    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    66
 Rdmodfacs> Valeur propre du vecteur en lecture:   154.1    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    67
 Rdmodfacs> Valeur propre du vecteur en lecture:   155.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    68
 Rdmodfacs> Valeur propre du vecteur en lecture:   155.8    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    69
 Rdmodfacs> Valeur propre du vecteur en lecture:   158.3    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    70
 Rdmodfacs> Valeur propre du vecteur en lecture:   160.3    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    71
 Rdmodfacs> Valeur propre du vecteur en lecture:   161.3    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    72
 Rdmodfacs> Valeur propre du vecteur en lecture:   163.1    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    73
 Rdmodfacs> Valeur propre du vecteur en lecture:   164.5    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    74
 Rdmodfacs> Valeur propre du vecteur en lecture:   167.9    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    75
 Rdmodfacs> Valeur propre du vecteur en lecture:   169.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    76
 Rdmodfacs> Valeur propre du vecteur en lecture:   169.9    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    77
 Rdmodfacs> Valeur propre du vecteur en lecture:   173.5    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    78
 Rdmodfacs> Valeur propre du vecteur en lecture:   174.7    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    79
 Rdmodfacs> Valeur propre du vecteur en lecture:   175.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    80
 Rdmodfacs> Valeur propre du vecteur en lecture:   177.7    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    81
 Rdmodfacs> Valeur propre du vecteur en lecture:   181.1    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    82
 Rdmodfacs> Valeur propre du vecteur en lecture:   182.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    83
 Rdmodfacs> Valeur propre du vecteur en lecture:   185.5    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    84
 Rdmodfacs> Valeur propre du vecteur en lecture:   186.0    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    85
 Rdmodfacs> Valeur propre du vecteur en lecture:   187.4    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    86
 Rdmodfacs> Valeur propre du vecteur en lecture:   190.0    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    87
 Rdmodfacs> Valeur propre du vecteur en lecture:   190.8    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    88
 Rdmodfacs> Valeur propre du vecteur en lecture:   192.4    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    89
 Rdmodfacs> Valeur propre du vecteur en lecture:   194.9    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    90
 Rdmodfacs> Valeur propre du vecteur en lecture:   195.8    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    91
 Rdmodfacs> Valeur propre du vecteur en lecture:   197.0    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    92
 Rdmodfacs> Valeur propre du vecteur en lecture:   199.4    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    93
 Rdmodfacs> Valeur propre du vecteur en lecture:   202.3    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    94
 Rdmodfacs> Valeur propre du vecteur en lecture:   203.9    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    95
 Rdmodfacs> Valeur propre du vecteur en lecture:   205.8    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    96
 Rdmodfacs> Valeur propre du vecteur en lecture:   206.5    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    97
 Rdmodfacs> Valeur propre du vecteur en lecture:   208.0    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    98
 Rdmodfacs> Valeur propre du vecteur en lecture:   209.9    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    99
 Rdmodfacs> Valeur propre du vecteur en lecture:   210.6    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   100
 Rdmodfacs> Valeur propre du vecteur en lecture:   210.9    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   101
 Rdmodfacs> Valeur propre du vecteur en lecture:   212.3    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   102
 Rdmodfacs> Valeur propre du vecteur en lecture:   213.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   103
 Rdmodfacs> Valeur propre du vecteur en lecture:   214.9    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   104
 Rdmodfacs> Valeur propre du vecteur en lecture:   215.9    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   105
 Rdmodfacs> Valeur propre du vecteur en lecture:   218.5    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   106
 Rdmodfacs> Valeur propre du vecteur en lecture:   220.2    

 Bfactors>  106 vectors,   5880 coordinates in file.

 Openam> file on opening on unit     12:
 bfactors.pred                                                   

 Bfactors> Best zero-eigenvalue found  :     0.000000
 Bfactors>     6 eigenvalues less than :     0.000000
 Bfactors> Lowest non-zero eigenvalue  :     8.808000
 Bfactors>   100 eigenvectors will be considered.
 Bfactors> Rotation-Tranlation modes are skipped.

 Bfactors> Mass-weighted B-factors are computed.
          (CHARMM units assumed for eigenvalues)

%Bfactors-Wn> Experimental B-factors are nearly constant !

 Bfactors> =      0.007 +/-   0.01
 Bfactors> =      0.000 +/-   0.00
 Bfactors> Shiftng-fct=     -0.007
 Bfactors> Scaling-fct=      0.000

 Bfactors> Predicted, Scaled and Experimental B-factors are saved.

 Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402141427352770497 7 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 8
running: ../../bin/get_modes.sh 2402141427352770497 8 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 9
running: ../../bin/get_modes.sh 2402141427352770497 9 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 10
running: ../../bin/get_modes.sh 2402141427352770497 10 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 11
running: ../../bin/get_modes.sh 2402141427352770497 11 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 12
running: ../../bin/get_modes.sh 2402141427352770497 12 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 13
running: ../../bin/get_modes.sh 2402141427352770497 13 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 14
running: ../../bin/get_modes.sh 2402141427352770497 14 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 15
running: ../../bin/get_modes.sh 2402141427352770497 15 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 16
running: ../../bin/get_modes.sh 2402141427352770497 16 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 17
running: ../../bin/get_modes.sh 2402141427352770497 17 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 18
running: ../../bin/get_modes.sh 2402141427352770497 18 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 19
running: ../../bin/get_modes.sh 2402141427352770497 19 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 20
running: ../../bin/get_modes.sh 2402141427352770497 20 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 21
running: ../../bin/get_modes.sh 2402141427352770497 21 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 22
running: ../../bin/get_modes.sh 2402141427352770497 22 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 23
running: ../../bin/get_modes.sh 2402141427352770497 23 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 24
running: ../../bin/get_modes.sh 2402141427352770497 24 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 25
running: ../../bin/get_modes.sh 2402141427352770497 25 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 26
running: ../../bin/get_modes.sh 2402141427352770497 26 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 27
running: ../../bin/get_modes.sh 2402141427352770497 27 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 28
running: ../../bin/get_modes.sh 2402141427352770497 28 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 29
running: ../../bin/get_modes.sh 2402141427352770497 29 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 30
running: ../../bin/get_modes.sh 2402141427352770497 30 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
getting mode 31
running: ../../bin/get_modes.sh 2402141427352770497 31 -1000 1000 20 0 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-1000
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-980
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-960
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-940
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-920
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-900
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-880
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-860
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-840
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-820
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-800
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-780
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-760
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-740
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-720
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-700
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-680
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-660
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-640
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-620
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-600
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-580
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-560
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-540
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-520
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-500
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-480
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-460
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-440
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-420
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-400
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-380
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-360
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-340
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-320
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-300
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-280
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-260
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-240
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-220
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-200
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-180
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-160
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-140
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-120
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-100
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-80
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-60
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-40
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=-20
2402141427352770497.eigenfacs
2402141427352770497.atom
calculating perturbed structure for DQ=0
2402141427352770497.eigenfacs
2402141427352770497.atom
WARNING: max number of models (51) reached
         no more models will be calculated for this mode
2402141427352770497.10.pdb
2402141427352770497.11.pdb
2402141427352770497.12.pdb
2402141427352770497.13.pdb
2402141427352770497.14.pdb
2402141427352770497.15.pdb
2402141427352770497.16.pdb
2402141427352770497.17.pdb
2402141427352770497.18.pdb
2402141427352770497.19.pdb
2402141427352770497.20.pdb
2402141427352770497.21.pdb
2402141427352770497.22.pdb
2402141427352770497.23.pdb
2402141427352770497.24.pdb
2402141427352770497.25.pdb
2402141427352770497.26.pdb
2402141427352770497.27.pdb
2402141427352770497.28.pdb
2402141427352770497.29.pdb
2402141427352770497.30.pdb
2402141427352770497.31.pdb
2402141427352770497.7.pdb
2402141427352770497.8.pdb
2402141427352770497.9.pdb



STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL

real	0m8.261s
user	0m8.216s
sys	0m0.044s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2402141427352770497.Chkmod.res: No such file or directory

• K. Suhre & Y.H. Sanejouand, ElNemo: a normal mode web-server for protein movement analysis and the generation of templates for molecular replacement. Nucleic Acids Research, 32, W610-W614, 2004.
• K. Suhre & Y.H. Sanejouand, On the potential of normal mode analysis for solving difficult molecular replacement problems. Acta Cryst. D vol.60, p796-799, 2004 © International Union of Crystallography.