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***  EXSA_dimer1  ***

LOGs for ID: 2401041206373816311

output from eigenvector calculation:


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     = 2401041206373816311.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 2401041206373816311.atom to be opened.

 Openam> File opened: 2401041206373816311.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 =    558
            First residue number     =      0
            Last  residue number     =    278
            Number of atoms found    =   8944
            Mean number per residue  =     16.0

 Pdbmat> Coordinate statistics: 
 =     0.000001 +/-    13.488886 From:   -31.059000 To:    35.650000
 =    -0.000001 +/-    14.566680 From:   -30.983000 To:    34.796000
 =     0.000001 +/-    14.990488 From:   -35.141000 To:    30.223000
 Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ACE ' is not a well known amino-acid.
%Pdbmat-W> residue:'ACE ' is not a well known amino-acid.

%Pdbmat-W>      2 residue(s) not known.

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

 Openam> File opened: pdbmat.sdijb

 Pdbmat> Matrix statistics:

 Pdbmat> The matrix is   1.7924 % Filled.
 Pdbmat>      6452388  non-zero elements.
 Pdbmat>       711081 atom-atom interactions.

 Pdbmat> Number per atom=    159.01 +/-     50.01
         Maximum number =    252
         Minimum number =     23

 Pdbmat> Matrix trace   = 1.422162E+07
 Pdbmat> Larger element =  883.704    
 Pdbmat>      0 elements larger than +/-  1.0E+10

 Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
558 non-zero elements, NRBL set to 3
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     = 2401041206373816311.atom
 Eigenvector OUTPut file  = matrix.eigenrtb
 Nb of VECTors required   =        106
 EigeNVALues chosen       =       LOWE
 Type of SUBStructuring   =       NONE
 Nb of residues per BLOck =          3
 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 2401041206373816311.atom to be opened.

 Openam> file on opening on unit     11:
 2401041206373816311.atom                                                                                                        

 Blocpdb> Coordinate file in PDB format.

 Blocpdb>  8944 atoms picked in pdb file.
 Blocpdb>   All masses set to unity.
 Blocpdb> Coordinate file is rewritten.

 Blocpdb> Substructuring:
 Blocpdb>     3 residue(s) per block.
 Blocpdb>   558 residues.
 Blocpdb>    40 atoms in block      1
 Block first atom:      1
 Blocpdb>    39 atoms in block      2
 Block first atom:     41
 Blocpdb>    37 atoms in block      3
 Block first atom:     80
 Blocpdb>    63 atoms in block      4
 Block first atom:    117
 Blocpdb>    44 atoms in block      5
 Block first atom:    180
 Blocpdb>    52 atoms in block      6
 Block first atom:    224
 Blocpdb>    47 atoms in block      7
 Block first atom:    276
 Blocpdb>    49 atoms in block      8
 Block first atom:    323
 Blocpdb>    61 atoms in block      9
 Block first atom:    372
 Blocpdb>    51 atoms in block     10
 Block first atom:    433
 Blocpdb>    38 atoms in block     11
 Block first atom:    484
 Blocpdb>    56 atoms in block     12
 Block first atom:    522
 Blocpdb>    41 atoms in block     13
 Block first atom:    578
 Blocpdb>    48 atoms in block     14
 Block first atom:    619
 Blocpdb>    45 atoms in block     15
 Block first atom:    667
 Blocpdb>    42 atoms in block     16
 Block first atom:    712
 Blocpdb>    45 atoms in block     17
 Block first atom:    754
 Blocpdb>    43 atoms in block     18
 Block first atom:    799
 Blocpdb>    41 atoms in block     19
 Block first atom:    842
 Blocpdb>    55 atoms in block     20
 Block first atom:    883
 Blocpdb>    55 atoms in block     21
 Block first atom:    938
 Blocpdb>    48 atoms in block     22
 Block first atom:    993
 Blocpdb>    41 atoms in block     23
 Block first atom:   1041
 Blocpdb>    51 atoms in block     24
 Block first atom:   1082
 Blocpdb>    47 atoms in block     25
 Block first atom:   1133
 Blocpdb>    62 atoms in block     26
 Block first atom:   1180
 Blocpdb>    52 atoms in block     27
 Block first atom:   1242
 Blocpdb>    38 atoms in block     28
 Block first atom:   1294
 Blocpdb>    56 atoms in block     29
 Block first atom:   1332
 Blocpdb>    43 atoms in block     30
 Block first atom:   1388
 Blocpdb>    61 atoms in block     31
 Block first atom:   1431
 Blocpdb>    36 atoms in block     32
 Block first atom:   1492
 Blocpdb>    45 atoms in block     33
 Block first atom:   1528
 Blocpdb>    55 atoms in block     34
 Block first atom:   1573
 Blocpdb>    38 atoms in block     35
 Block first atom:   1628
 Blocpdb>    44 atoms in block     36
 Block first atom:   1666
 Blocpdb>    45 atoms in block     37
 Block first atom:   1710
 Blocpdb>    40 atoms in block     38
 Block first atom:   1755
 Blocpdb>    38 atoms in block     39
 Block first atom:   1795
 Blocpdb>    48 atoms in block     40
 Block first atom:   1833
 Blocpdb>    34 atoms in block     41
 Block first atom:   1881
 Blocpdb>    48 atoms in block     42
 Block first atom:   1915
 Blocpdb>    56 atoms in block     43
 Block first atom:   1963
 Blocpdb>    52 atoms in block     44
 Block first atom:   2019
 Blocpdb>    46 atoms in block     45
 Block first atom:   2071
 Blocpdb>    50 atoms in block     46
 Block first atom:   2117
 Blocpdb>    40 atoms in block     47
 Block first atom:   2167
 Blocpdb>    56 atoms in block     48
 Block first atom:   2207
 Blocpdb>    53 atoms in block     49
 Block first atom:   2263
 Blocpdb>    56 atoms in block     50
 Block first atom:   2316
 Blocpdb>    41 atoms in block     51
 Block first atom:   2372
 Blocpdb>    38 atoms in block     52
 Block first atom:   2413
 Blocpdb>    52 atoms in block     53
 Block first atom:   2451
 Blocpdb>    44 atoms in block     54
 Block first atom:   2503
 Blocpdb>    60 atoms in block     55
 Block first atom:   2547
 Blocpdb>    44 atoms in block     56
 Block first atom:   2607
 Blocpdb>    57 atoms in block     57
 Block first atom:   2651
 Blocpdb>    59 atoms in block     58
 Block first atom:   2708
 Blocpdb>    56 atoms in block     59
 Block first atom:   2767
 Blocpdb>    54 atoms in block     60
 Block first atom:   2823
 Blocpdb>    57 atoms in block     61
 Block first atom:   2877
 Blocpdb>    53 atoms in block     62
 Block first atom:   2934
 Blocpdb>    52 atoms in block     63
 Block first atom:   2987
 Blocpdb>    43 atoms in block     64
 Block first atom:   3039
 Blocpdb>    59 atoms in block     65
 Block first atom:   3082
 Blocpdb>    31 atoms in block     66
 Block first atom:   3141
 Blocpdb>    47 atoms in block     67
 Block first atom:   3172
 Blocpdb>    57 atoms in block     68
 Block first atom:   3219
 Blocpdb>    46 atoms in block     69
 Block first atom:   3276
 Blocpdb>    48 atoms in block     70
 Block first atom:   3322
 Blocpdb>    34 atoms in block     71
 Block first atom:   3370
 Blocpdb>    48 atoms in block     72
 Block first atom:   3404
 Blocpdb>    54 atoms in block     73
 Block first atom:   3452
 Blocpdb>    63 atoms in block     74
 Block first atom:   3506
 Blocpdb>    59 atoms in block     75
 Block first atom:   3569
 Blocpdb>    44 atoms in block     76
 Block first atom:   3628
 Blocpdb>    57 atoms in block     77
 Block first atom:   3672
 Blocpdb>    37 atoms in block     78
 Block first atom:   3729
 Blocpdb>    47 atoms in block     79
 Block first atom:   3766
 Blocpdb>    47 atoms in block     80
 Block first atom:   3813
 Blocpdb>    42 atoms in block     81
 Block first atom:   3860
 Blocpdb>    37 atoms in block     82
 Block first atom:   3902
 Blocpdb>    39 atoms in block     83
 Block first atom:   3939
 Blocpdb>    52 atoms in block     84
 Block first atom:   3978
 Blocpdb>    42 atoms in block     85
 Block first atom:   4030
 Blocpdb>    69 atoms in block     86
 Block first atom:   4072
 Blocpdb>    51 atoms in block     87
 Block first atom:   4141
 Blocpdb>    38 atoms in block     88
 Block first atom:   4192
 Blocpdb>    46 atoms in block     89
 Block first atom:   4230
 Blocpdb>    48 atoms in block     90
 Block first atom:   4276
 Blocpdb>    49 atoms in block     91
 Block first atom:   4324
 Blocpdb>    44 atoms in block     92
 Block first atom:   4373
 Blocpdb>    56 atoms in block     93
 Block first atom:   4417
 Blocpdb>    40 atoms in block     94
 Block first atom:   4473
 Blocpdb>    39 atoms in block     95
 Block first atom:   4513
 Blocpdb>    37 atoms in block     96
 Block first atom:   4552
 Blocpdb>    63 atoms in block     97
 Block first atom:   4589
 Blocpdb>    44 atoms in block     98
 Block first atom:   4652
 Blocpdb>    52 atoms in block     99
 Block first atom:   4696
 Blocpdb>    47 atoms in block    100
 Block first atom:   4748
 Blocpdb>    49 atoms in block    101
 Block first atom:   4795
 Blocpdb>    61 atoms in block    102
 Block first atom:   4844
 Blocpdb>    51 atoms in block    103
 Block first atom:   4905
 Blocpdb>    38 atoms in block    104
 Block first atom:   4956
 Blocpdb>    56 atoms in block    105
 Block first atom:   4994
 Blocpdb>    41 atoms in block    106
 Block first atom:   5050
 Blocpdb>    48 atoms in block    107
 Block first atom:   5091
 Blocpdb>    45 atoms in block    108
 Block first atom:   5139
 Blocpdb>    42 atoms in block    109
 Block first atom:   5184
 Blocpdb>    45 atoms in block    110
 Block first atom:   5226
 Blocpdb>    43 atoms in block    111
 Block first atom:   5271
 Blocpdb>    41 atoms in block    112
 Block first atom:   5314
 Blocpdb>    55 atoms in block    113
 Block first atom:   5355
 Blocpdb>    55 atoms in block    114
 Block first atom:   5410
 Blocpdb>    48 atoms in block    115
 Block first atom:   5465
 Blocpdb>    41 atoms in block    116
 Block first atom:   5513
 Blocpdb>    51 atoms in block    117
 Block first atom:   5554
 Blocpdb>    47 atoms in block    118
 Block first atom:   5605
 Blocpdb>    62 atoms in block    119
 Block first atom:   5652
 Blocpdb>    52 atoms in block    120
 Block first atom:   5714
 Blocpdb>    38 atoms in block    121
 Block first atom:   5766
 Blocpdb>    56 atoms in block    122
 Block first atom:   5804
 Blocpdb>    43 atoms in block    123
 Block first atom:   5860
 Blocpdb>    61 atoms in block    124
 Block first atom:   5903
 Blocpdb>    36 atoms in block    125
 Block first atom:   5964
 Blocpdb>    45 atoms in block    126
 Block first atom:   6000
 Blocpdb>    55 atoms in block    127
 Block first atom:   6045
 Blocpdb>    38 atoms in block    128
 Block first atom:   6100
 Blocpdb>    44 atoms in block    129
 Block first atom:   6138
 Blocpdb>    45 atoms in block    130
 Block first atom:   6182
 Blocpdb>    40 atoms in block    131
 Block first atom:   6227
 Blocpdb>    38 atoms in block    132
 Block first atom:   6267
 Blocpdb>    48 atoms in block    133
 Block first atom:   6305
 Blocpdb>    34 atoms in block    134
 Block first atom:   6353
 Blocpdb>    48 atoms in block    135
 Block first atom:   6387
 Blocpdb>    56 atoms in block    136
 Block first atom:   6435
 Blocpdb>    52 atoms in block    137
 Block first atom:   6491
 Blocpdb>    46 atoms in block    138
 Block first atom:   6543
 Blocpdb>    50 atoms in block    139
 Block first atom:   6589
 Blocpdb>    40 atoms in block    140
 Block first atom:   6639
 Blocpdb>    56 atoms in block    141
 Block first atom:   6679
 Blocpdb>    53 atoms in block    142
 Block first atom:   6735
 Blocpdb>    56 atoms in block    143
 Block first atom:   6788
 Blocpdb>    41 atoms in block    144
 Block first atom:   6844
 Blocpdb>    38 atoms in block    145
 Block first atom:   6885
 Blocpdb>    52 atoms in block    146
 Block first atom:   6923
 Blocpdb>    44 atoms in block    147
 Block first atom:   6975
 Blocpdb>    60 atoms in block    148
 Block first atom:   7019
 Blocpdb>    44 atoms in block    149
 Block first atom:   7079
 Blocpdb>    57 atoms in block    150
 Block first atom:   7123
 Blocpdb>    59 atoms in block    151
 Block first atom:   7180
 Blocpdb>    56 atoms in block    152
 Block first atom:   7239
 Blocpdb>    54 atoms in block    153
 Block first atom:   7295
 Blocpdb>    57 atoms in block    154
 Block first atom:   7349
 Blocpdb>    53 atoms in block    155
 Block first atom:   7406
 Blocpdb>    52 atoms in block    156
 Block first atom:   7459
 Blocpdb>    43 atoms in block    157
 Block first atom:   7511
 Blocpdb>    59 atoms in block    158
 Block first atom:   7554
 Blocpdb>    31 atoms in block    159
 Block first atom:   7613
 Blocpdb>    47 atoms in block    160
 Block first atom:   7644
 Blocpdb>    57 atoms in block    161
 Block first atom:   7691
 Blocpdb>    46 atoms in block    162
 Block first atom:   7748
 Blocpdb>    48 atoms in block    163
 Block first atom:   7794
 Blocpdb>    34 atoms in block    164
 Block first atom:   7842
 Blocpdb>    48 atoms in block    165
 Block first atom:   7876
 Blocpdb>    54 atoms in block    166
 Block first atom:   7924
 Blocpdb>    63 atoms in block    167
 Block first atom:   7978
 Blocpdb>    59 atoms in block    168
 Block first atom:   8041
 Blocpdb>    44 atoms in block    169
 Block first atom:   8100
 Blocpdb>    57 atoms in block    170
 Block first atom:   8144
 Blocpdb>    37 atoms in block    171
 Block first atom:   8201
 Blocpdb>    47 atoms in block    172
 Block first atom:   8238
 Blocpdb>    47 atoms in block    173
 Block first atom:   8285
 Blocpdb>    42 atoms in block    174
 Block first atom:   8332
 Blocpdb>    37 atoms in block    175
 Block first atom:   8374
 Blocpdb>    39 atoms in block    176
 Block first atom:   8411
 Blocpdb>    52 atoms in block    177
 Block first atom:   8450
 Blocpdb>    42 atoms in block    178
 Block first atom:   8502
 Blocpdb>    69 atoms in block    179
 Block first atom:   8544
 Blocpdb>    51 atoms in block    180
 Block first atom:   8613
 Blocpdb>    38 atoms in block    181
 Block first atom:   8664
 Blocpdb>    46 atoms in block    182
 Block first atom:   8702
 Blocpdb>    48 atoms in block    183
 Block first atom:   8748
 Blocpdb>    49 atoms in block    184
 Block first atom:   8796
 Blocpdb>    44 atoms in block    185
 Block first atom:   8845
 Blocpdb>    56 atoms in block    186
 Block first atom:   8888

 Blocpdb>   186 blocks.

 Blocpdb> At most,     69 atoms in each of them.
 Blocpdb> At least,    31 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>      6452574 matrix lines read.

 Prepmat> Matrix order    =      26832

 Prepmat> Matrix trace    =   14221620.0000
 Prepmat> Last element read:   26832  26832       274.7892
 Prepmat>        17392 lines saved.
 Prepmat>        15257 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:  8944
 RTB> Total mass =        8944.0000
 RTB> Number of atoms found in matrix:  8944
 RTB> Number of blocks =   186
 RTB> Projection begins.
 RTB> Projected matrix is being saved.
 RTB> Projected matrix trace =  464982.1071
 RTB>     74034 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 =     1116
 Diagstd> Nb of non-zero elements:    74034
 Diagstd> Projected matrix trace =  464982.1071

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

 Diagstd>   1116 eigenvectors are computed. 
 Diagstd>    106 of them to be saved. 

 Diagstd> Sum of eigenvalues = 464982.1071
 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      3.0837539      3.3963153      3.4517042      4.7180105
      6.4530370      7.4479970      7.9023012      8.3097649      9.3426003
      9.8563671     10.3286016     10.8338868     11.6796463     13.3148036
     14.5572800     16.2783998     16.5936432     17.8503831     18.3320567
     19.0206821     19.8286809     23.0744540     25.2287914     25.6386512
     25.7909436     27.1347376     27.9583452     28.1721457     29.1166076
     29.6751679     30.7784504     33.0150063     33.1733741     34.9019657
     36.5679100     37.6493943     38.8467369     39.4538899     40.6588627
     42.8008642     43.9431006     44.7880064     45.7653195     46.4106010
     47.2556770     49.2229217     49.7310953     50.8082040     51.8837909
     51.9849014     53.5307672     56.7700643     57.4134528     59.2340160
     60.5186149     61.4239746     61.4867798     62.3296655     63.3809363
     65.1736949     68.0333792     68.3819822     69.5469373     71.2842895
     73.1208096     73.2999203     74.4480266     75.4780906     76.5498996
     78.0075375     78.7203647     79.9866785     81.7113781     82.3641618
     82.8222822     85.4233135     86.1088424     87.0049632     88.2668788
     90.0038732     90.2701239     90.7915057     91.3869829     92.6151371
     93.4853781     94.7090861     95.1969663     96.3416135     97.1233384
     97.6439213     98.2856983     98.8765826     99.2027167    101.4148755
    102.1775389    103.0983588    103.8823768    104.9170088    105.7423371
    107.1854841

 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
      0.0034317      0.0034321      0.0034338      0.0034352      0.0034358
      0.0034378    190.6931700    200.1240501    201.7493129    235.8710988
    275.8527747    296.3568881    305.2615248    313.0326584    331.9167467
    340.9209697    348.9924593    357.4270577    371.1163821    396.2439672
    414.3195236    438.1281270    442.3501246    458.7953964    464.9442449
    473.5963248    483.5508962    521.6281214    545.4356290    549.8482759
    551.4788947    565.6634182    574.1839011    576.3751437    585.9568922
    591.5505641    602.4467356    623.9516999    625.4464091    641.5348061
    656.6672390    666.3068486    676.8190158    682.0876627    692.4252457
    710.4304199    719.8477121    726.7351165    734.6213225    739.7821979
    746.4870448    761.8666697    765.7892977    774.0378569    782.1879668
    782.9497547    794.5056945    818.1915187    822.8148347    835.7586295
    844.7725047    851.0679539    851.5029455    857.3194534    864.5191258
    876.6605266    895.6870633    897.9788811    905.5955609    916.8371295
    928.5724108    929.7089925    936.9617796    943.4214207    950.0962261
    959.0992791    963.4714035    971.1897978    981.6045162    985.5176847
    988.2546739   1003.6527686   1007.6719182   1012.9016859   1020.2207800
   1030.2102813   1031.7329474   1034.7081969   1038.0958386   1045.0480691
   1049.9463901   1056.7958598   1059.5143290   1065.8650896   1070.1806182
   1073.0448789   1076.5654652   1079.7967208   1081.5760529   1093.5688000
   1097.6730441   1102.6080430   1106.7925295   1112.2905063   1116.6568458
   1124.2509603

 Diagstd> Normal end.

 Rtb_to_modes> Entering in.

 Rtb_to_modes> Number of atoms in temporary block-file =   8944
 Rtb_to_modes> Number of blocs =    186

 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:  9.9868E-10

 Rdmodfacs> Eigenvector number:     2
 Rdmodfacs> Corresponding eigenvalue:  9.9890E-10

 Rdmodfacs> Eigenvector number:     3
 Rdmodfacs> Corresponding eigenvalue:  9.9988E-10

 Rdmodfacs> Eigenvector number:     4
 Rdmodfacs> Corresponding eigenvalue:  1.0007E-09

 Rdmodfacs> Eigenvector number:     5
 Rdmodfacs> Corresponding eigenvalue:  1.0011E-09

 Rdmodfacs> Eigenvector number:     6
 Rdmodfacs> Corresponding eigenvalue:  1.0022E-09

 Rdmodfacs> Eigenvector number:     7
 Rdmodfacs> Corresponding eigenvalue:   3.084    

 Rdmodfacs> Eigenvector number:     8
 Rdmodfacs> Corresponding eigenvalue:   3.396    

 Rdmodfacs> Eigenvector number:     9
 Rdmodfacs> Corresponding eigenvalue:   3.452    

 Rdmodfacs> Eigenvector number:    10
 Rdmodfacs> Corresponding eigenvalue:   4.718    

 Rdmodfacs> Eigenvector number:    11
 Rdmodfacs> Corresponding eigenvalue:   6.453    

 Rdmodfacs> Eigenvector number:    12
 Rdmodfacs> Corresponding eigenvalue:   7.448    

 Rdmodfacs> Eigenvector number:    13
 Rdmodfacs> Corresponding eigenvalue:   7.902    

 Rdmodfacs> Eigenvector number:    14
 Rdmodfacs> Corresponding eigenvalue:   8.310    

 Rdmodfacs> Eigenvector number:    15
 Rdmodfacs> Corresponding eigenvalue:   9.343    

 Rdmodfacs> Eigenvector number:    16
 Rdmodfacs> Corresponding eigenvalue:   9.856    

 Rdmodfacs> Eigenvector number:    17
 Rdmodfacs> Corresponding eigenvalue:   10.33    

 Rdmodfacs> Eigenvector number:    18
 Rdmodfacs> Corresponding eigenvalue:   10.83    

 Rdmodfacs> Eigenvector number:    19
 Rdmodfacs> Corresponding eigenvalue:   11.68    

 Rdmodfacs> Eigenvector number:    20
 Rdmodfacs> Corresponding eigenvalue:   13.31    

 Rdmodfacs> Eigenvector number:    21
 Rdmodfacs> Corresponding eigenvalue:   14.56    

 Rdmodfacs> Eigenvector number:    22
 Rdmodfacs> Corresponding eigenvalue:   16.28    

 Rdmodfacs> Eigenvector number:    23
 Rdmodfacs> Corresponding eigenvalue:   16.59    

 Rdmodfacs> Eigenvector number:    24
 Rdmodfacs> Corresponding eigenvalue:   17.85    

 Rdmodfacs> Eigenvector number:    25
 Rdmodfacs> Corresponding eigenvalue:   18.33    

 Rdmodfacs> Eigenvector number:    26
 Rdmodfacs> Corresponding eigenvalue:   19.02    

 Rdmodfacs> Eigenvector number:    27
 Rdmodfacs> Corresponding eigenvalue:   19.83    

 Rdmodfacs> Eigenvector number:    28
 Rdmodfacs> Corresponding eigenvalue:   23.07    

 Rdmodfacs> Eigenvector number:    29
 Rdmodfacs> Corresponding eigenvalue:   25.23    

 Rdmodfacs> Eigenvector number:    30
 Rdmodfacs> Corresponding eigenvalue:   25.64    

 Rdmodfacs> Eigenvector number:    31
 Rdmodfacs> Corresponding eigenvalue:   25.79    

 Rdmodfacs> Eigenvector number:    32
 Rdmodfacs> Corresponding eigenvalue:   27.13    

 Rdmodfacs> Eigenvector number:    33
 Rdmodfacs> Corresponding eigenvalue:   27.96    

 Rdmodfacs> Eigenvector number:    34
 Rdmodfacs> Corresponding eigenvalue:   28.17    

 Rdmodfacs> Eigenvector number:    35
 Rdmodfacs> Corresponding eigenvalue:   29.12    

 Rdmodfacs> Eigenvector number:    36
 Rdmodfacs> Corresponding eigenvalue:   29.68    

 Rdmodfacs> Eigenvector number:    37
 Rdmodfacs> Corresponding eigenvalue:   30.78    

 Rdmodfacs> Eigenvector number:    38
 Rdmodfacs> Corresponding eigenvalue:   33.02    

 Rdmodfacs> Eigenvector number:    39
 Rdmodfacs> Corresponding eigenvalue:   33.17    

 Rdmodfacs> Eigenvector number:    40
 Rdmodfacs> Corresponding eigenvalue:   34.90    

 Rdmodfacs> Eigenvector number:    41
 Rdmodfacs> Corresponding eigenvalue:   36.57    

 Rdmodfacs> Eigenvector number:    42
 Rdmodfacs> Corresponding eigenvalue:   37.65    

 Rdmodfacs> Eigenvector number:    43
 Rdmodfacs> Corresponding eigenvalue:   38.85    

 Rdmodfacs> Eigenvector number:    44
 Rdmodfacs> Corresponding eigenvalue:   39.45    

 Rdmodfacs> Eigenvector number:    45
 Rdmodfacs> Corresponding eigenvalue:   40.66    

 Rdmodfacs> Eigenvector number:    46
 Rdmodfacs> Corresponding eigenvalue:   42.80    

 Rdmodfacs> Eigenvector number:    47
 Rdmodfacs> Corresponding eigenvalue:   43.94    

 Rdmodfacs> Eigenvector number:    48
 Rdmodfacs> Corresponding eigenvalue:   44.79    

 Rdmodfacs> Eigenvector number:    49
 Rdmodfacs> Corresponding eigenvalue:   45.77    

 Rdmodfacs> Eigenvector number:    50
 Rdmodfacs> Corresponding eigenvalue:   46.41    

 Rdmodfacs> Eigenvector number:    51
 Rdmodfacs> Corresponding eigenvalue:   47.26    

 Rdmodfacs> Eigenvector number:    52
 Rdmodfacs> Corresponding eigenvalue:   49.22    

 Rdmodfacs> Eigenvector number:    53
 Rdmodfacs> Corresponding eigenvalue:   49.73    

 Rdmodfacs> Eigenvector number:    54
 Rdmodfacs> Corresponding eigenvalue:   50.81    

 Rdmodfacs> Eigenvector number:    55
 Rdmodfacs> Corresponding eigenvalue:   51.88    

 Rdmodfacs> Eigenvector number:    56
 Rdmodfacs> Corresponding eigenvalue:   51.98    

 Rdmodfacs> Eigenvector number:    57
 Rdmodfacs> Corresponding eigenvalue:   53.53    

 Rdmodfacs> Eigenvector number:    58
 Rdmodfacs> Corresponding eigenvalue:   56.77    

 Rdmodfacs> Eigenvector number:    59
 Rdmodfacs> Corresponding eigenvalue:   57.41    

 Rdmodfacs> Eigenvector number:    60
 Rdmodfacs> Corresponding eigenvalue:   59.23    

 Rdmodfacs> Eigenvector number:    61
 Rdmodfacs> Corresponding eigenvalue:   60.52    

 Rdmodfacs> Eigenvector number:    62
 Rdmodfacs> Corresponding eigenvalue:   61.42    

 Rdmodfacs> Eigenvector number:    63
 Rdmodfacs> Corresponding eigenvalue:   61.49    

 Rdmodfacs> Eigenvector number:    64
 Rdmodfacs> Corresponding eigenvalue:   62.33    

 Rdmodfacs> Eigenvector number:    65
 Rdmodfacs> Corresponding eigenvalue:   63.38    

 Rdmodfacs> Eigenvector number:    66
 Rdmodfacs> Corresponding eigenvalue:   65.17    

 Rdmodfacs> Eigenvector number:    67
 Rdmodfacs> Corresponding eigenvalue:   68.03    

 Rdmodfacs> Eigenvector number:    68
 Rdmodfacs> Corresponding eigenvalue:   68.38    

 Rdmodfacs> Eigenvector number:    69
 Rdmodfacs> Corresponding eigenvalue:   69.55    

 Rdmodfacs> Eigenvector number:    70
 Rdmodfacs> Corresponding eigenvalue:   71.28    

 Rdmodfacs> Eigenvector number:    71
 Rdmodfacs> Corresponding eigenvalue:   73.12    

 Rdmodfacs> Eigenvector number:    72
 Rdmodfacs> Corresponding eigenvalue:   73.30    

 Rdmodfacs> Eigenvector number:    73
 Rdmodfacs> Corresponding eigenvalue:   74.45    

 Rdmodfacs> Eigenvector number:    74
 Rdmodfacs> Corresponding eigenvalue:   75.48    

 Rdmodfacs> Eigenvector number:    75
 Rdmodfacs> Corresponding eigenvalue:   76.55    

 Rdmodfacs> Eigenvector number:    76
 Rdmodfacs> Corresponding eigenvalue:   78.01    

 Rdmodfacs> Eigenvector number:    77
 Rdmodfacs> Corresponding eigenvalue:   78.72    

 Rdmodfacs> Eigenvector number:    78
 Rdmodfacs> Corresponding eigenvalue:   79.99    

 Rdmodfacs> Eigenvector number:    79
 Rdmodfacs> Corresponding eigenvalue:   81.71    

 Rdmodfacs> Eigenvector number:    80
 Rdmodfacs> Corresponding eigenvalue:   82.36    

 Rdmodfacs> Eigenvector number:    81
 Rdmodfacs> Corresponding eigenvalue:   82.82    

 Rdmodfacs> Eigenvector number:    82
 Rdmodfacs> Corresponding eigenvalue:   85.42    

 Rdmodfacs> Eigenvector number:    83
 Rdmodfacs> Corresponding eigenvalue:   86.11    

 Rdmodfacs> Eigenvector number:    84
 Rdmodfacs> Corresponding eigenvalue:   87.00    

 Rdmodfacs> Eigenvector number:    85
 Rdmodfacs> Corresponding eigenvalue:   88.27    

 Rdmodfacs> Eigenvector number:    86
 Rdmodfacs> Corresponding eigenvalue:   90.00    

 Rdmodfacs> Eigenvector number:    87
 Rdmodfacs> Corresponding eigenvalue:   90.27    

 Rdmodfacs> Eigenvector number:    88
 Rdmodfacs> Corresponding eigenvalue:   90.79    

 Rdmodfacs> Eigenvector number:    89
 Rdmodfacs> Corresponding eigenvalue:   91.39    

 Rdmodfacs> Eigenvector number:    90
 Rdmodfacs> Corresponding eigenvalue:   92.62    

 Rdmodfacs> Eigenvector number:    91
 Rdmodfacs> Corresponding eigenvalue:   93.49    

 Rdmodfacs> Eigenvector number:    92
 Rdmodfacs> Corresponding eigenvalue:   94.71    

 Rdmodfacs> Eigenvector number:    93
 Rdmodfacs> Corresponding eigenvalue:   95.20    

 Rdmodfacs> Eigenvector number:    94
 Rdmodfacs> Corresponding eigenvalue:   96.34    

 Rdmodfacs> Eigenvector number:    95
 Rdmodfacs> Corresponding eigenvalue:   97.12    

 Rdmodfacs> Eigenvector number:    96
 Rdmodfacs> Corresponding eigenvalue:   97.64    

 Rdmodfacs> Eigenvector number:    97
 Rdmodfacs> Corresponding eigenvalue:   98.29    

 Rdmodfacs> Eigenvector number:    98
 Rdmodfacs> Corresponding eigenvalue:   98.88    

 Rdmodfacs> Eigenvector number:    99
 Rdmodfacs> Corresponding eigenvalue:   99.20    

 Rdmodfacs> Eigenvector number:   100
 Rdmodfacs> Corresponding eigenvalue:   101.4    

 Rdmodfacs> Eigenvector number:   101
 Rdmodfacs> Corresponding eigenvalue:   102.2    

 Rdmodfacs> Eigenvector number:   102
 Rdmodfacs> Corresponding eigenvalue:   103.1    

 Rdmodfacs> Eigenvector number:   103
 Rdmodfacs> Corresponding eigenvalue:   103.9    

 Rdmodfacs> Eigenvector number:   104
 Rdmodfacs> Corresponding eigenvalue:   104.9    

 Rdmodfacs> Eigenvector number:   105
 Rdmodfacs> Corresponding eigenvalue:   105.7    

 Rdmodfacs> Eigenvector number:   106
 Rdmodfacs> Corresponding eigenvalue:   107.2    

 Rtb_to_modes>  106 vectors, with   1116 coordinates in vector file.

 Norm of eigenvectors in projected coordinates (one expected):
 1.00000 1.00000 1.00000 0.99998 1.00000
 1.00000 1.00000 1.00001 1.00002 1.00000
 1.00003 1.00000 0.99999 0.99995 1.00000
 0.99998 1.00002 1.00000 0.99999 1.00000
 1.00000 0.99999 1.00001 1.00001 1.00000
 1.00000 1.00003 1.00000 1.00000 1.00002
 0.99999 1.00001 1.00001 1.00001 0.99998
 1.00000 1.00000 1.00001 0.99998 0.99999
 1.00000 1.00003 1.00001 1.00001 0.99999
 1.00001 1.00002 1.00000 1.00002 0.99999
 1.00000 1.00000 0.99998 1.00000 1.00000
 1.00000 1.00000 1.00003 1.00001 1.00002
 1.00000 1.00000 0.99999 0.99999 1.00002
 1.00001 1.00003 0.99999 1.00000 1.00001
 1.00000 0.99999 1.00002 1.00001 1.00001
 1.00002 1.00001 0.99998 1.00002 1.00003
 0.99999 0.99999 1.00002 1.00001 1.00000
 1.00000 0.99998 1.00001 1.00003 0.99999
 1.00002 1.00000 0.99999 0.99999 1.00000
 1.00002 0.99996 1.00001 0.99999 1.00000
 0.99999 1.00000 1.00000 1.00000 0.99998
 1.00000

 Rtb_to_modes> RTB block-file is being read.
 Rtb_to_modes>   160992 lines found in RTB file.

 Norm of eigenvectors in cartesian coordinates (one expected):
 1.00000 1.00000 1.00000 0.99998 1.00000
 1.00000 1.00000 1.00001 1.00002 1.00000
 1.00003 1.00000 0.99999 0.99995 1.00000
 0.99998 1.00002 1.00000 0.99999 1.00000
 1.00000 0.99999 1.00001 1.00001 1.00000
 1.00000 1.00003 1.00000 1.00000 1.00002
 0.99999 1.00001 1.00001 1.00001 0.99998
 1.00000 1.00000 1.00001 0.99998 0.99999
 1.00000 1.00003 1.00001 1.00001 0.99999
 1.00001 1.00002 1.00000 1.00002 0.99999
 1.00000 1.00000 0.99998 1.00000 1.00000
 1.00000 1.00000 1.00003 1.00001 1.00002
 1.00000 1.00000 0.99999 0.99999 1.00002
 1.00001 1.00003 0.99999 1.00000 1.00001
 1.00000 0.99999 1.00002 1.00001 1.00001
 1.00002 1.00001 0.99998 1.00002 1.00003
 0.99999 0.99999 1.00002 1.00001 1.00000
 1.00000 0.99998 1.00001 1.00003 0.99999
 1.00002 1.00000 0.99999 0.99999 1.00000
 1.00002 0.99996 1.00001 0.99999 1.00000
 0.99999 1.00000 1.00000 1.00000 0.99998
 1.00000

 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> 2401041206373816311.eigenfacs

 Openam> file on opening on unit     10:
 2401041206373816311.eigenfacs                                   
 Getnam> Corresponding pdb filename ?
 Getnam> 2401041206373816311.atom

 Openam> file on opening on unit     11:
 2401041206373816311.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 =    558
            First residue number     =      0
            Last  residue number     =    278
            Number of atoms found    =   8944
            Mean number per residue  =     16.0

 Rdmodfacs> Old Blzpack file format detected.

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     1
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9868E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     2
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9890E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     3
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9988E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     4
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0007E-09

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     5
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0011E-09

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     6
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0022E-09

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     7
 Rdmodfacs> Valeur propre du vecteur en lecture:   3.084    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     8
 Rdmodfacs> Valeur propre du vecteur en lecture:   3.396    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     9
 Rdmodfacs> Valeur propre du vecteur en lecture:   3.452    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    10
 Rdmodfacs> Valeur propre du vecteur en lecture:   4.718    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    11
 Rdmodfacs> Valeur propre du vecteur en lecture:   6.453    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    12
 Rdmodfacs> Valeur propre du vecteur en lecture:   7.448    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    13
 Rdmodfacs> Valeur propre du vecteur en lecture:   7.902    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    14
 Rdmodfacs> Valeur propre du vecteur en lecture:   8.310    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    15
 Rdmodfacs> Valeur propre du vecteur en lecture:   9.343    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    16
 Rdmodfacs> Valeur propre du vecteur en lecture:   9.856    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    17
 Rdmodfacs> Valeur propre du vecteur en lecture:   10.33    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    18
 Rdmodfacs> Valeur propre du vecteur en lecture:   10.83    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    19
 Rdmodfacs> Valeur propre du vecteur en lecture:   11.68    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    20
 Rdmodfacs> Valeur propre du vecteur en lecture:   13.31    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    21
 Rdmodfacs> Valeur propre du vecteur en lecture:   14.56    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    22
 Rdmodfacs> Valeur propre du vecteur en lecture:   16.28    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    23
 Rdmodfacs> Valeur propre du vecteur en lecture:   16.59    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    24
 Rdmodfacs> Valeur propre du vecteur en lecture:   17.85    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    25
 Rdmodfacs> Valeur propre du vecteur en lecture:   18.33    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    26
 Rdmodfacs> Valeur propre du vecteur en lecture:   19.02    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    27
 Rdmodfacs> Valeur propre du vecteur en lecture:   19.83    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    28
 Rdmodfacs> Valeur propre du vecteur en lecture:   23.07    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    29
 Rdmodfacs> Valeur propre du vecteur en lecture:   25.23    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    30
 Rdmodfacs> Valeur propre du vecteur en lecture:   25.64    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    31
 Rdmodfacs> Valeur propre du vecteur en lecture:   25.79    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    32
 Rdmodfacs> Valeur propre du vecteur en lecture:   27.13    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    33
 Rdmodfacs> Valeur propre du vecteur en lecture:   27.96    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    34
 Rdmodfacs> Valeur propre du vecteur en lecture:   28.17    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    35
 Rdmodfacs> Valeur propre du vecteur en lecture:   29.12    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    36
 Rdmodfacs> Valeur propre du vecteur en lecture:   29.68    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    37
 Rdmodfacs> Valeur propre du vecteur en lecture:   30.78    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    38
 Rdmodfacs> Valeur propre du vecteur en lecture:   33.02    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    39
 Rdmodfacs> Valeur propre du vecteur en lecture:   33.17    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    40
 Rdmodfacs> Valeur propre du vecteur en lecture:   34.90    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    41
 Rdmodfacs> Valeur propre du vecteur en lecture:   36.57    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    42
 Rdmodfacs> Valeur propre du vecteur en lecture:   37.65    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    43
 Rdmodfacs> Valeur propre du vecteur en lecture:   38.85    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    44
 Rdmodfacs> Valeur propre du vecteur en lecture:   39.45    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    45
 Rdmodfacs> Valeur propre du vecteur en lecture:   40.66    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    46
 Rdmodfacs> Valeur propre du vecteur en lecture:   42.80    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    47
 Rdmodfacs> Valeur propre du vecteur en lecture:   43.94    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    48
 Rdmodfacs> Valeur propre du vecteur en lecture:   44.79    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    49
 Rdmodfacs> Valeur propre du vecteur en lecture:   45.77    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    50
 Rdmodfacs> Valeur propre du vecteur en lecture:   46.41    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    51
 Rdmodfacs> Valeur propre du vecteur en lecture:   47.26    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    52
 Rdmodfacs> Valeur propre du vecteur en lecture:   49.22    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    53
 Rdmodfacs> Valeur propre du vecteur en lecture:   49.73    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    54
 Rdmodfacs> Valeur propre du vecteur en lecture:   50.81    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    55
 Rdmodfacs> Valeur propre du vecteur en lecture:   51.88    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    56
 Rdmodfacs> Valeur propre du vecteur en lecture:   51.98    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    57
 Rdmodfacs> Valeur propre du vecteur en lecture:   53.53    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    58
 Rdmodfacs> Valeur propre du vecteur en lecture:   56.77    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    59
 Rdmodfacs> Valeur propre du vecteur en lecture:   57.41    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    60
 Rdmodfacs> Valeur propre du vecteur en lecture:   59.23    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    61
 Rdmodfacs> Valeur propre du vecteur en lecture:   60.52    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    62
 Rdmodfacs> Valeur propre du vecteur en lecture:   61.42    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    63
 Rdmodfacs> Valeur propre du vecteur en lecture:   61.49    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    64
 Rdmodfacs> Valeur propre du vecteur en lecture:   62.33    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    65
 Rdmodfacs> Valeur propre du vecteur en lecture:   63.38    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    66
 Rdmodfacs> Valeur propre du vecteur en lecture:   65.17    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    67
 Rdmodfacs> Valeur propre du vecteur en lecture:   68.03    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    68
 Rdmodfacs> Valeur propre du vecteur en lecture:   68.38    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    69
 Rdmodfacs> Valeur propre du vecteur en lecture:   69.55    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    70
 Rdmodfacs> Valeur propre du vecteur en lecture:   71.28    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    71
 Rdmodfacs> Valeur propre du vecteur en lecture:   73.12    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    72
 Rdmodfacs> Valeur propre du vecteur en lecture:   73.30    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    73
 Rdmodfacs> Valeur propre du vecteur en lecture:   74.45    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    74
 Rdmodfacs> Valeur propre du vecteur en lecture:   75.48    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    75
 Rdmodfacs> Valeur propre du vecteur en lecture:   76.55    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    76
 Rdmodfacs> Valeur propre du vecteur en lecture:   78.01    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    77
 Rdmodfacs> Valeur propre du vecteur en lecture:   78.72    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    78
 Rdmodfacs> Valeur propre du vecteur en lecture:   79.99    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    79
 Rdmodfacs> Valeur propre du vecteur en lecture:   81.71    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    80
 Rdmodfacs> Valeur propre du vecteur en lecture:   82.36    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    81
 Rdmodfacs> Valeur propre du vecteur en lecture:   82.82    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    82
 Rdmodfacs> Valeur propre du vecteur en lecture:   85.42    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    83
 Rdmodfacs> Valeur propre du vecteur en lecture:   86.11    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    84
 Rdmodfacs> Valeur propre du vecteur en lecture:   87.00    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    85
 Rdmodfacs> Valeur propre du vecteur en lecture:   88.27    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    86
 Rdmodfacs> Valeur propre du vecteur en lecture:   90.00    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    87
 Rdmodfacs> Valeur propre du vecteur en lecture:   90.27    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    88
 Rdmodfacs> Valeur propre du vecteur en lecture:   90.79    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    89
 Rdmodfacs> Valeur propre du vecteur en lecture:   91.39    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    90
 Rdmodfacs> Valeur propre du vecteur en lecture:   92.62    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    91
 Rdmodfacs> Valeur propre du vecteur en lecture:   93.49    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    92
 Rdmodfacs> Valeur propre du vecteur en lecture:   94.71    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    93
 Rdmodfacs> Valeur propre du vecteur en lecture:   95.20    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    94
 Rdmodfacs> Valeur propre du vecteur en lecture:   96.34    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    95
 Rdmodfacs> Valeur propre du vecteur en lecture:   97.12    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    96
 Rdmodfacs> Valeur propre du vecteur en lecture:   97.64    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    97
 Rdmodfacs> Valeur propre du vecteur en lecture:   98.29    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    98
 Rdmodfacs> Valeur propre du vecteur en lecture:   98.88    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    99
 Rdmodfacs> Valeur propre du vecteur en lecture:   99.20    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   100
 Rdmodfacs> Valeur propre du vecteur en lecture:   101.4    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   101
 Rdmodfacs> Valeur propre du vecteur en lecture:   102.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   102
 Rdmodfacs> Valeur propre du vecteur en lecture:   103.1    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   103
 Rdmodfacs> Valeur propre du vecteur en lecture:   103.9    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   104
 Rdmodfacs> Valeur propre du vecteur en lecture:   104.9    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   105
 Rdmodfacs> Valeur propre du vecteur en lecture:   105.7    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   106
 Rdmodfacs> Valeur propre du vecteur en lecture:   107.2    

 Bfactors>  106 vectors,  26832 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  :     3.084000
 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> Correlation=     -0.672 for    558 C-alpha atoms.
 Bfactors> =      0.006 +/-   0.01
 Bfactors> =     78.951 +/-  16.87
 Bfactors> Shiftng-fct=     78.945
 Bfactors> Scaling-fct=   1863.706

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

 Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401041206373816311 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2401041206373816311 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2401041206373816311 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2401041206373816311 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2401041206373816311 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 2401041206373816311 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2401041206373816311 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2401041206373816311 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2401041206373816311 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2401041206373816311 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 17
running: ../../bin/get_modes.sh 2401041206373816311 17 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.17.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.17.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.17.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 18
running: ../../bin/get_modes.sh 2401041206373816311 18 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.18.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.18.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.18.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 19
running: ../../bin/get_modes.sh 2401041206373816311 19 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.19.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.19.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.19.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 20
running: ../../bin/get_modes.sh 2401041206373816311 20 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.20.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.20.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.20.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 21
running: ../../bin/get_modes.sh 2401041206373816311 21 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.21.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.21.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.21.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 22
running: ../../bin/get_modes.sh 2401041206373816311 22 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.22.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.22.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.22.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 23
running: ../../bin/get_modes.sh 2401041206373816311 23 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.23.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.23.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.23.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 24
running: ../../bin/get_modes.sh 2401041206373816311 24 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.24.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.24.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.24.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 25
running: ../../bin/get_modes.sh 2401041206373816311 25 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.25.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.25.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.25.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 26
running: ../../bin/get_modes.sh 2401041206373816311 26 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.26.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.26.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.26.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 27
running: ../../bin/get_modes.sh 2401041206373816311 27 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.27.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.27.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.27.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 28
running: ../../bin/get_modes.sh 2401041206373816311 28 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.28.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.28.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.28.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 29
running: ../../bin/get_modes.sh 2401041206373816311 29 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.29.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.29.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.29.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 30
running: ../../bin/get_modes.sh 2401041206373816311 30 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.30.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.30.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.30.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 31
running: ../../bin/get_modes.sh 2401041206373816311 31 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=-20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=0
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=20
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=40
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=60
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=80
2401041206373816311.eigenfacs
2401041206373816311.atom
calculating perturbed structure for DQ=100
2401041206373816311.eigenfacs
2401041206373816311.atom
making animated gifs
11 models are in 2401041206373816311.31.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.31.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041206373816311.31.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2401041206373816311.10.pdb
2401041206373816311.11.pdb
2401041206373816311.12.pdb
2401041206373816311.13.pdb
2401041206373816311.14.pdb
2401041206373816311.15.pdb
2401041206373816311.16.pdb
2401041206373816311.17.pdb
2401041206373816311.18.pdb
2401041206373816311.19.pdb
2401041206373816311.20.pdb
2401041206373816311.21.pdb
2401041206373816311.22.pdb
2401041206373816311.23.pdb
2401041206373816311.24.pdb
2401041206373816311.25.pdb
2401041206373816311.26.pdb
2401041206373816311.27.pdb
2401041206373816311.28.pdb
2401041206373816311.29.pdb
2401041206373816311.30.pdb
2401041206373816311.31.pdb
2401041206373816311.7.pdb
2401041206373816311.8.pdb
2401041206373816311.9.pdb



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

real	0m46.117s
user	0m45.894s
sys	0m0.208s
../../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: 2401041206373816311.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format



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elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.