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

* 01-JUN-22 *

LOGs for ID: 2401041038363801036

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     = 2401041038363801036.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 2401041038363801036.atom to be opened.

 Openam> File opened: 2401041038363801036.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 =    413
            First residue number     =      1
            Last  residue number     =    413
            Number of atoms found    =   3001
            Mean number per residue  =      7.3

 Pdbmat> Coordinate statistics: 
 =    -1.463744 +/-    23.414596 From:   -56.368000 To:    55.253000
 =     4.449305 +/-    26.472755 From:   -51.972000 To:    69.048000
 =    -9.740331 +/-    25.194284 From:   -62.471000 To:    56.600000
 Pdbmat> Masses are all set to one.

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

 Openam> File opened: pdbmat.sdijb

 Pdbmat> Matrix statistics:

 Pdbmat> The matrix is   1.3761 % Filled.
 Pdbmat>       557753  non-zero elements.
 Pdbmat>        59983 atom-atom interactions.

 Pdbmat> Number per atom=     39.98 +/-     19.37
         Maximum number =    118
         Minimum number =      8

 Pdbmat> Matrix trace   = 1.199660E+06
 Pdbmat> Larger element =  442.099    
 Pdbmat>      0 elements larger than +/-  1.0E+10

 Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
413 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     = 2401041038363801036.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 2401041038363801036.atom to be opened.

 Openam> file on opening on unit     11:
 2401041038363801036.atom                                                                                                        

 Blocpdb> Coordinate file in PDB format.

 Blocpdb>  3001 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>   413 residues.
 Blocpdb>    28 atoms in block      1
 Block first atom:      1
 Blocpdb>    19 atoms in block      2
 Block first atom:     29
 Blocpdb>    18 atoms in block      3
 Block first atom:     48
 Blocpdb>    17 atoms in block      4
 Block first atom:     66
 Blocpdb>    24 atoms in block      5
 Block first atom:     83
 Blocpdb>    27 atoms in block      6
 Block first atom:    107
 Blocpdb>    22 atoms in block      7
 Block first atom:    134
 Blocpdb>    20 atoms in block      8
 Block first atom:    156
 Blocpdb>    19 atoms in block      9
 Block first atom:    176
 Blocpdb>    22 atoms in block     10
 Block first atom:    195
 Blocpdb>    22 atoms in block     11
 Block first atom:    217
 Blocpdb>    24 atoms in block     12
 Block first atom:    239
 Blocpdb>    20 atoms in block     13
 Block first atom:    263
 Blocpdb>    20 atoms in block     14
 Block first atom:    283
 Blocpdb>    15 atoms in block     15
 Block first atom:    303
 Blocpdb>    19 atoms in block     16
 Block first atom:    318
 Blocpdb>    18 atoms in block     17
 Block first atom:    337
 Blocpdb>    19 atoms in block     18
 Block first atom:    355
 Blocpdb>    15 atoms in block     19
 Block first atom:    374
 Blocpdb>    18 atoms in block     20
 Block first atom:    389
 Blocpdb>    29 atoms in block     21
 Block first atom:    407
 Blocpdb>    24 atoms in block     22
 Block first atom:    436
 Blocpdb>    26 atoms in block     23
 Block first atom:    460
 Blocpdb>    27 atoms in block     24
 Block first atom:    486
 Blocpdb>    25 atoms in block     25
 Block first atom:    513
 Blocpdb>    28 atoms in block     26
 Block first atom:    538
 Blocpdb>    23 atoms in block     27
 Block first atom:    566
 Blocpdb>    22 atoms in block     28
 Block first atom:    589
 Blocpdb>    21 atoms in block     29
 Block first atom:    611
 Blocpdb>    15 atoms in block     30
 Block first atom:    632
 Blocpdb>    25 atoms in block     31
 Block first atom:    647
 Blocpdb>    23 atoms in block     32
 Block first atom:    672
 Blocpdb>    21 atoms in block     33
 Block first atom:    695
 Blocpdb>    20 atoms in block     34
 Block first atom:    716
 Blocpdb>    27 atoms in block     35
 Block first atom:    736
 Blocpdb>    18 atoms in block     36
 Block first atom:    763
 Blocpdb>    20 atoms in block     37
 Block first atom:    781
 Blocpdb>    27 atoms in block     38
 Block first atom:    801
 Blocpdb>    21 atoms in block     39
 Block first atom:    828
 Blocpdb>    21 atoms in block     40
 Block first atom:    849
 Blocpdb>    24 atoms in block     41
 Block first atom:    870
 Blocpdb>    20 atoms in block     42
 Block first atom:    894
 Blocpdb>    19 atoms in block     43
 Block first atom:    914
 Blocpdb>    24 atoms in block     44
 Block first atom:    933
 Blocpdb>    24 atoms in block     45
 Block first atom:    957
 Blocpdb>    24 atoms in block     46
 Block first atom:    981
 Blocpdb>    28 atoms in block     47
 Block first atom:   1005
 Blocpdb>    21 atoms in block     48
 Block first atom:   1033
 Blocpdb>    23 atoms in block     49
 Block first atom:   1054
 Blocpdb>    19 atoms in block     50
 Block first atom:   1077
 Blocpdb>    20 atoms in block     51
 Block first atom:   1096
 Blocpdb>    20 atoms in block     52
 Block first atom:   1116
 Blocpdb>    21 atoms in block     53
 Block first atom:   1136
 Blocpdb>    19 atoms in block     54
 Block first atom:   1157
 Blocpdb>    20 atoms in block     55
 Block first atom:   1176
 Blocpdb>    26 atoms in block     56
 Block first atom:   1196
 Blocpdb>    19 atoms in block     57
 Block first atom:   1222
 Blocpdb>    28 atoms in block     58
 Block first atom:   1241
 Blocpdb>    18 atoms in block     59
 Block first atom:   1269
 Blocpdb>    21 atoms in block     60
 Block first atom:   1287
 Blocpdb>    19 atoms in block     61
 Block first atom:   1308
 Blocpdb>    23 atoms in block     62
 Block first atom:   1327
 Blocpdb>    22 atoms in block     63
 Block first atom:   1350
 Blocpdb>    23 atoms in block     64
 Block first atom:   1372
 Blocpdb>    22 atoms in block     65
 Block first atom:   1395
 Blocpdb>    22 atoms in block     66
 Block first atom:   1417
 Blocpdb>    20 atoms in block     67
 Block first atom:   1439
 Blocpdb>    26 atoms in block     68
 Block first atom:   1459
 Blocpdb>    21 atoms in block     69
 Block first atom:   1485
 Blocpdb>    16 atoms in block     70
 Block first atom:   1506
 Blocpdb>    19 atoms in block     71
 Block first atom:   1522
 Blocpdb>    33 atoms in block     72
 Block first atom:   1541
 Blocpdb>    30 atoms in block     73
 Block first atom:   1574
 Blocpdb>    21 atoms in block     74
 Block first atom:   1604
 Blocpdb>    26 atoms in block     75
 Block first atom:   1625
 Blocpdb>    19 atoms in block     76
 Block first atom:   1651
 Blocpdb>    24 atoms in block     77
 Block first atom:   1670
 Blocpdb>    27 atoms in block     78
 Block first atom:   1694
 Blocpdb>    21 atoms in block     79
 Block first atom:   1721
 Blocpdb>    26 atoms in block     80
 Block first atom:   1742
 Blocpdb>    27 atoms in block     81
 Block first atom:   1768
 Blocpdb>    25 atoms in block     82
 Block first atom:   1795
 Blocpdb>    27 atoms in block     83
 Block first atom:   1820
 Blocpdb>    22 atoms in block     84
 Block first atom:   1847
 Blocpdb>    20 atoms in block     85
 Block first atom:   1869
 Blocpdb>    22 atoms in block     86
 Block first atom:   1889
 Blocpdb>    21 atoms in block     87
 Block first atom:   1911
 Blocpdb>    23 atoms in block     88
 Block first atom:   1932
 Blocpdb>    21 atoms in block     89
 Block first atom:   1955
 Blocpdb>    33 atoms in block     90
 Block first atom:   1976
 Blocpdb>    24 atoms in block     91
 Block first atom:   2009
 Blocpdb>    18 atoms in block     92
 Block first atom:   2033
 Blocpdb>    20 atoms in block     93
 Block first atom:   2051
 Blocpdb>    19 atoms in block     94
 Block first atom:   2071
 Blocpdb>    24 atoms in block     95
 Block first atom:   2090
 Blocpdb>    29 atoms in block     96
 Block first atom:   2114
 Blocpdb>    26 atoms in block     97
 Block first atom:   2143
 Blocpdb>    26 atoms in block     98
 Block first atom:   2169
 Blocpdb>    23 atoms in block     99
 Block first atom:   2195
 Blocpdb>    28 atoms in block    100
 Block first atom:   2218
 Blocpdb>    21 atoms in block    101
 Block first atom:   2246
 Blocpdb>    26 atoms in block    102
 Block first atom:   2267
 Blocpdb>    25 atoms in block    103
 Block first atom:   2293
 Blocpdb>    19 atoms in block    104
 Block first atom:   2318
 Blocpdb>    22 atoms in block    105
 Block first atom:   2337
 Blocpdb>    24 atoms in block    106
 Block first atom:   2359
 Blocpdb>    20 atoms in block    107
 Block first atom:   2383
 Blocpdb>    15 atoms in block    108
 Block first atom:   2403
 Blocpdb>    14 atoms in block    109
 Block first atom:   2418
 Blocpdb>    20 atoms in block    110
 Block first atom:   2432
 Blocpdb>    13 atoms in block    111
 Block first atom:   2452
 Blocpdb>    26 atoms in block    112
 Block first atom:   2465
 Blocpdb>    16 atoms in block    113
 Block first atom:   2491
 Blocpdb>    14 atoms in block    114
 Block first atom:   2507
 Blocpdb>    18 atoms in block    115
 Block first atom:   2521
 Blocpdb>    19 atoms in block    116
 Block first atom:   2539
 Blocpdb>    18 atoms in block    117
 Block first atom:   2558
 Blocpdb>    19 atoms in block    118
 Block first atom:   2576
 Blocpdb>    19 atoms in block    119
 Block first atom:   2595
 Blocpdb>    18 atoms in block    120
 Block first atom:   2614
 Blocpdb>    23 atoms in block    121
 Block first atom:   2632
 Blocpdb>    25 atoms in block    122
 Block first atom:   2655
 Blocpdb>    19 atoms in block    123
 Block first atom:   2680
 Blocpdb>    22 atoms in block    124
 Block first atom:   2699
 Blocpdb>    17 atoms in block    125
 Block first atom:   2721
 Blocpdb>    23 atoms in block    126
 Block first atom:   2738
 Blocpdb>    23 atoms in block    127
 Block first atom:   2761
 Blocpdb>    22 atoms in block    128
 Block first atom:   2784
 Blocpdb>    23 atoms in block    129
 Block first atom:   2806
 Blocpdb>    17 atoms in block    130
 Block first atom:   2829
 Blocpdb>    17 atoms in block    131
 Block first atom:   2846
 Blocpdb>    25 atoms in block    132
 Block first atom:   2863
 Blocpdb>    19 atoms in block    133
 Block first atom:   2888
 Blocpdb>    21 atoms in block    134
 Block first atom:   2907
 Blocpdb>    20 atoms in block    135
 Block first atom:   2928
 Blocpdb>    21 atoms in block    136
 Block first atom:   2948
 Blocpdb>    20 atoms in block    137
 Block first atom:   2969
 Blocpdb>    13 atoms in block    138
 Block first atom:   2988

 Blocpdb>   138 blocks.

 Blocpdb> At most,     33 atoms in each of them.
 Blocpdb> At least,    13 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>       557891 matrix lines read.

 Prepmat> Matrix order    =       9003

 Prepmat> Matrix trace    =    1199660.0000
 Prepmat> Last element read:    9003   9003        45.9135
 Prepmat>         9592 lines saved.
 Prepmat>         9135 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:  3001
 RTB> Total mass =        3001.0000
 RTB> Number of atoms found in matrix:  3001
 RTB> Number of blocks =   138
 RTB> Projection begins.
 RTB> Projected matrix is being saved.
 RTB> Projected matrix trace =   57167.5938
 RTB>     14346 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 =      828
 Diagstd> Nb of non-zero elements:    14346
 Diagstd> Projected matrix trace =   57167.5938

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

 Diagstd>    828 eigenvectors are computed. 
 Diagstd>    106 of them to be saved. 

 Diagstd> Sum of eigenvalues =  57167.5938
 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      0.0000055      0.0000102      0.0000148      0.0000203
      0.0000295      0.0000326      0.0000460      0.0000824      0.0001162
      0.0001755      0.0002318      0.0003980      0.0004676      0.0005864
      0.0007108      0.0008792      0.0009300      0.0010657      0.0012382
      0.0013282      0.0020311      0.0022647      0.0025703      0.0031137
      0.0038035      0.0042037      0.0044920      0.0048110      0.0057918
      0.0062173      0.0069748      0.0080356      0.0095513      0.0099401
      0.0105195      0.0117152      0.0134810      0.0147934      0.0163283
      0.0186950      0.0236034      0.0245238      0.0261768      0.0278347
      0.0307399      0.0321746      0.0354220      0.0387156      0.0417590
      0.0452758      0.0466043      0.0469967      0.0576232      0.0584244
      0.0639690      0.0687539      0.0705486      0.0753742      0.0773798
      0.0792624      0.0886994      0.0939626      0.1051729      0.1086324
      0.1158769      0.1203823      0.1280143      0.1311681      0.1424918
      0.1466333      0.1682678      0.1734995      0.1784826      0.1883532
      0.1951493      0.2033279      0.2067482      0.2194166      0.2331040
      0.2374604      0.2457374      0.2667054      0.2699336      0.2889062
      0.2929285      0.3021046      0.3204836      0.3295203      0.3448679
      0.3598736      0.3797968      0.3960995      0.4074107      0.4311759
      0.4554307      0.4837179      0.4881703      0.5058082      0.5359472
      0.5744123

 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
      0.0034339      0.0034340      0.0034340      0.0034340      0.0034340
      0.0034340      0.2541894      0.3463062      0.4182360      0.4893660
      0.5896697      0.6201372      0.7367950      0.9859964      1.1704864
      1.4387128      1.6532642      2.1664355      2.3480991      2.6295186
      2.8951253      3.2198666      3.3115291      3.5449710      3.8211037
      3.9575514      4.8940028      5.1677565      5.5053408      6.0594096
      6.6970710      7.0406515      7.2780915      7.5320684      8.2642094
      8.5623814      9.0690345      9.7342943     10.6126902     10.8265648
     11.1376100     11.7535725     12.6082712     13.2077830     13.8760601
     14.8476443     16.6833228     17.0054945     17.5692479     18.1170961
     19.0391069     19.4783506     20.4376871     21.3667334     22.1906598
     23.1061934     23.4427391     23.5412107     26.0671805     26.2477684
     27.4650233     28.4737017     28.8429463     29.8130687     30.2071104
     30.5723473     32.3411548     33.2868609     35.2165789     35.7910903
     36.9652512     37.6770207     38.8529993     39.3286755     40.9911543
     41.5825885     44.5446775     45.2318514     45.8768136     47.1283034
     47.9710069     48.9658979     49.3760334     50.8662795     52.4288249
     52.9164705     53.8308072     56.0804094     56.4187902     58.3678547
     58.7727581     59.6862031     61.4749487     62.3356343     63.7707683
     65.1433735     66.9223075     68.3435292     69.3124887     71.3054164
     73.2835408     75.5251106     75.8719023     77.2303867     79.4980166
     82.3013820

 Diagstd> Normal end.

 Rtb_to_modes> Entering in.

 Rtb_to_modes> Number of atoms in temporary block-file =   3001
 Rtb_to_modes> Number of blocs =    138

 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:  9.9998E-10

 Rdmodfacs> Eigenvector number:     2
 Rdmodfacs> Corresponding eigenvalue:  9.9999E-10

 Rdmodfacs> Eigenvector number:     3
 Rdmodfacs> Corresponding eigenvalue:  1.0000E-09

 Rdmodfacs> Eigenvector number:     4
 Rdmodfacs> Corresponding eigenvalue:  1.0000E-09

 Rdmodfacs> Eigenvector number:     5
 Rdmodfacs> Corresponding eigenvalue:  1.0000E-09

 Rdmodfacs> Eigenvector number:     6
 Rdmodfacs> Corresponding eigenvalue:  1.0000E-09

 Rdmodfacs> Eigenvector number:     7
 Rdmodfacs> Corresponding eigenvalue:  5.4793E-06

 Rdmodfacs> Eigenvector number:     8
 Rdmodfacs> Corresponding eigenvalue:  1.0170E-05

 Rdmodfacs> Eigenvector number:     9
 Rdmodfacs> Corresponding eigenvalue:  1.4834E-05

 Rdmodfacs> Eigenvector number:    10
 Rdmodfacs> Corresponding eigenvalue:  2.0308E-05

 Rdmodfacs> Eigenvector number:    11
 Rdmodfacs> Corresponding eigenvalue:  2.9487E-05

 Rdmodfacs> Eigenvector number:    12
 Rdmodfacs> Corresponding eigenvalue:  3.2613E-05

 Rdmodfacs> Eigenvector number:    13
 Rdmodfacs> Corresponding eigenvalue:  4.6037E-05

 Rdmodfacs> Eigenvector number:    14
 Rdmodfacs> Corresponding eigenvalue:  8.2444E-05

 Rdmodfacs> Eigenvector number:    15
 Rdmodfacs> Corresponding eigenvalue:  1.1618E-04

 Rdmodfacs> Eigenvector number:    16
 Rdmodfacs> Corresponding eigenvalue:  1.7553E-04

 Rdmodfacs> Eigenvector number:    17
 Rdmodfacs> Corresponding eigenvalue:  2.3179E-04

 Rdmodfacs> Eigenvector number:    18
 Rdmodfacs> Corresponding eigenvalue:  3.9802E-04

 Rdmodfacs> Eigenvector number:    19
 Rdmodfacs> Corresponding eigenvalue:  4.6757E-04

 Rdmodfacs> Eigenvector number:    20
 Rdmodfacs> Corresponding eigenvalue:  5.8636E-04

 Rdmodfacs> Eigenvector number:    21
 Rdmodfacs> Corresponding eigenvalue:  7.1079E-04

 Rdmodfacs> Eigenvector number:    22
 Rdmodfacs> Corresponding eigenvalue:  8.7919E-04

 Rdmodfacs> Eigenvector number:    23
 Rdmodfacs> Corresponding eigenvalue:  9.2996E-04

 Rdmodfacs> Eigenvector number:    24
 Rdmodfacs> Corresponding eigenvalue:  1.0657E-03

 Rdmodfacs> Eigenvector number:    25
 Rdmodfacs> Corresponding eigenvalue:  1.2382E-03

 Rdmodfacs> Eigenvector number:    26
 Rdmodfacs> Corresponding eigenvalue:  1.3282E-03

 Rdmodfacs> Eigenvector number:    27
 Rdmodfacs> Corresponding eigenvalue:  2.0311E-03

 Rdmodfacs> Eigenvector number:    28
 Rdmodfacs> Corresponding eigenvalue:  2.2647E-03

 Rdmodfacs> Eigenvector number:    29
 Rdmodfacs> Corresponding eigenvalue:  2.5703E-03

 Rdmodfacs> Eigenvector number:    30
 Rdmodfacs> Corresponding eigenvalue:  3.1137E-03

 Rdmodfacs> Eigenvector number:    31
 Rdmodfacs> Corresponding eigenvalue:  3.8035E-03

 Rdmodfacs> Eigenvector number:    32
 Rdmodfacs> Corresponding eigenvalue:  4.2037E-03

 Rdmodfacs> Eigenvector number:    33
 Rdmodfacs> Corresponding eigenvalue:  4.4920E-03

 Rdmodfacs> Eigenvector number:    34
 Rdmodfacs> Corresponding eigenvalue:  4.8110E-03

 Rdmodfacs> Eigenvector number:    35
 Rdmodfacs> Corresponding eigenvalue:  5.7918E-03

 Rdmodfacs> Eigenvector number:    36
 Rdmodfacs> Corresponding eigenvalue:  6.2173E-03

 Rdmodfacs> Eigenvector number:    37
 Rdmodfacs> Corresponding eigenvalue:  6.9748E-03

 Rdmodfacs> Eigenvector number:    38
 Rdmodfacs> Corresponding eigenvalue:  8.0356E-03

 Rdmodfacs> Eigenvector number:    39
 Rdmodfacs> Corresponding eigenvalue:  9.5513E-03

 Rdmodfacs> Eigenvector number:    40
 Rdmodfacs> Corresponding eigenvalue:  9.9401E-03

 Rdmodfacs> Eigenvector number:    41
 Rdmodfacs> Corresponding eigenvalue:  1.0519E-02

 Rdmodfacs> Eigenvector number:    42
 Rdmodfacs> Corresponding eigenvalue:  1.1715E-02

 Rdmodfacs> Eigenvector number:    43
 Rdmodfacs> Corresponding eigenvalue:  1.3481E-02

 Rdmodfacs> Eigenvector number:    44
 Rdmodfacs> Corresponding eigenvalue:  1.4793E-02

 Rdmodfacs> Eigenvector number:    45
 Rdmodfacs> Corresponding eigenvalue:  1.6328E-02

 Rdmodfacs> Eigenvector number:    46
 Rdmodfacs> Corresponding eigenvalue:  1.8695E-02

 Rdmodfacs> Eigenvector number:    47
 Rdmodfacs> Corresponding eigenvalue:  2.3603E-02

 Rdmodfacs> Eigenvector number:    48
 Rdmodfacs> Corresponding eigenvalue:  2.4524E-02

 Rdmodfacs> Eigenvector number:    49
 Rdmodfacs> Corresponding eigenvalue:  2.6177E-02

 Rdmodfacs> Eigenvector number:    50
 Rdmodfacs> Corresponding eigenvalue:  2.7835E-02

 Rdmodfacs> Eigenvector number:    51
 Rdmodfacs> Corresponding eigenvalue:  3.0740E-02

 Rdmodfacs> Eigenvector number:    52
 Rdmodfacs> Corresponding eigenvalue:  3.2175E-02

 Rdmodfacs> Eigenvector number:    53
 Rdmodfacs> Corresponding eigenvalue:  3.5422E-02

 Rdmodfacs> Eigenvector number:    54
 Rdmodfacs> Corresponding eigenvalue:  3.8716E-02

 Rdmodfacs> Eigenvector number:    55
 Rdmodfacs> Corresponding eigenvalue:  4.1759E-02

 Rdmodfacs> Eigenvector number:    56
 Rdmodfacs> Corresponding eigenvalue:  4.5276E-02

 Rdmodfacs> Eigenvector number:    57
 Rdmodfacs> Corresponding eigenvalue:  4.6604E-02

 Rdmodfacs> Eigenvector number:    58
 Rdmodfacs> Corresponding eigenvalue:  4.6997E-02

 Rdmodfacs> Eigenvector number:    59
 Rdmodfacs> Corresponding eigenvalue:  5.7623E-02

 Rdmodfacs> Eigenvector number:    60
 Rdmodfacs> Corresponding eigenvalue:  5.8424E-02

 Rdmodfacs> Eigenvector number:    61
 Rdmodfacs> Corresponding eigenvalue:  6.3969E-02

 Rdmodfacs> Eigenvector number:    62
 Rdmodfacs> Corresponding eigenvalue:  6.8754E-02

 Rdmodfacs> Eigenvector number:    63
 Rdmodfacs> Corresponding eigenvalue:  7.0549E-02

 Rdmodfacs> Eigenvector number:    64
 Rdmodfacs> Corresponding eigenvalue:  7.5374E-02

 Rdmodfacs> Eigenvector number:    65
 Rdmodfacs> Corresponding eigenvalue:  7.7380E-02

 Rdmodfacs> Eigenvector number:    66
 Rdmodfacs> Corresponding eigenvalue:  7.9262E-02

 Rdmodfacs> Eigenvector number:    67
 Rdmodfacs> Corresponding eigenvalue:  8.8699E-02

 Rdmodfacs> Eigenvector number:    68
 Rdmodfacs> Corresponding eigenvalue:  9.3963E-02

 Rdmodfacs> Eigenvector number:    69
 Rdmodfacs> Corresponding eigenvalue:  0.1052    

 Rdmodfacs> Eigenvector number:    70
 Rdmodfacs> Corresponding eigenvalue:  0.1086    

 Rdmodfacs> Eigenvector number:    71
 Rdmodfacs> Corresponding eigenvalue:  0.1159    

 Rdmodfacs> Eigenvector number:    72
 Rdmodfacs> Corresponding eigenvalue:  0.1204    

 Rdmodfacs> Eigenvector number:    73
 Rdmodfacs> Corresponding eigenvalue:  0.1280    

 Rdmodfacs> Eigenvector number:    74
 Rdmodfacs> Corresponding eigenvalue:  0.1312    

 Rdmodfacs> Eigenvector number:    75
 Rdmodfacs> Corresponding eigenvalue:  0.1425    

 Rdmodfacs> Eigenvector number:    76
 Rdmodfacs> Corresponding eigenvalue:  0.1466    

 Rdmodfacs> Eigenvector number:    77
 Rdmodfacs> Corresponding eigenvalue:  0.1683    

 Rdmodfacs> Eigenvector number:    78
 Rdmodfacs> Corresponding eigenvalue:  0.1735    

 Rdmodfacs> Eigenvector number:    79
 Rdmodfacs> Corresponding eigenvalue:  0.1785    

 Rdmodfacs> Eigenvector number:    80
 Rdmodfacs> Corresponding eigenvalue:  0.1884    

 Rdmodfacs> Eigenvector number:    81
 Rdmodfacs> Corresponding eigenvalue:  0.1951    

 Rdmodfacs> Eigenvector number:    82
 Rdmodfacs> Corresponding eigenvalue:  0.2033    

 Rdmodfacs> Eigenvector number:    83
 Rdmodfacs> Corresponding eigenvalue:  0.2067    

 Rdmodfacs> Eigenvector number:    84
 Rdmodfacs> Corresponding eigenvalue:  0.2194    

 Rdmodfacs> Eigenvector number:    85
 Rdmodfacs> Corresponding eigenvalue:  0.2331    

 Rdmodfacs> Eigenvector number:    86
 Rdmodfacs> Corresponding eigenvalue:  0.2375    

 Rdmodfacs> Eigenvector number:    87
 Rdmodfacs> Corresponding eigenvalue:  0.2457    

 Rdmodfacs> Eigenvector number:    88
 Rdmodfacs> Corresponding eigenvalue:  0.2667    

 Rdmodfacs> Eigenvector number:    89
 Rdmodfacs> Corresponding eigenvalue:  0.2699    

 Rdmodfacs> Eigenvector number:    90
 Rdmodfacs> Corresponding eigenvalue:  0.2889    

 Rdmodfacs> Eigenvector number:    91
 Rdmodfacs> Corresponding eigenvalue:  0.2929    

 Rdmodfacs> Eigenvector number:    92
 Rdmodfacs> Corresponding eigenvalue:  0.3021    

 Rdmodfacs> Eigenvector number:    93
 Rdmodfacs> Corresponding eigenvalue:  0.3205    

 Rdmodfacs> Eigenvector number:    94
 Rdmodfacs> Corresponding eigenvalue:  0.3295    

 Rdmodfacs> Eigenvector number:    95
 Rdmodfacs> Corresponding eigenvalue:  0.3449    

 Rdmodfacs> Eigenvector number:    96
 Rdmodfacs> Corresponding eigenvalue:  0.3599    

 Rdmodfacs> Eigenvector number:    97
 Rdmodfacs> Corresponding eigenvalue:  0.3798    

 Rdmodfacs> Eigenvector number:    98
 Rdmodfacs> Corresponding eigenvalue:  0.3961    

 Rdmodfacs> Eigenvector number:    99
 Rdmodfacs> Corresponding eigenvalue:  0.4074    

 Rdmodfacs> Eigenvector number:   100
 Rdmodfacs> Corresponding eigenvalue:  0.4312    

 Rdmodfacs> Eigenvector number:   101
 Rdmodfacs> Corresponding eigenvalue:  0.4554    

 Rdmodfacs> Eigenvector number:   102
 Rdmodfacs> Corresponding eigenvalue:  0.4837    

 Rdmodfacs> Eigenvector number:   103
 Rdmodfacs> Corresponding eigenvalue:  0.4882    

 Rdmodfacs> Eigenvector number:   104
 Rdmodfacs> Corresponding eigenvalue:  0.5058    

 Rdmodfacs> Eigenvector number:   105
 Rdmodfacs> Corresponding eigenvalue:  0.5359    

 Rdmodfacs> Eigenvector number:   106
 Rdmodfacs> Corresponding eigenvalue:  0.5744    

 Rtb_to_modes>  106 vectors, with    828 coordinates in vector file.

 Norm of eigenvectors in projected coordinates (one expected):
 1.00002 0.99997 1.00001 0.99999 1.00000
 1.00000 0.99998 0.99998 0.99998 1.00003
 0.99998 1.00002 1.00001 1.00005 1.00003
 0.99997 1.00002 1.00002 1.00002 1.00001
 1.00001 0.99997 1.00000 0.99999 1.00002
 1.00001 1.00002 1.00001 1.00001 1.00001
 1.00000 1.00000 0.99995 1.00000 0.99999
 0.99999 1.00001 1.00001 1.00003 1.00002
 1.00001 1.00001 1.00001 1.00000 1.00004
 1.00001 1.00001 1.00001 1.00001 1.00001
 0.99997 1.00002 0.99997 0.99997 1.00001
 1.00005 1.00000 0.99999 1.00003 1.00001
 0.99997 0.99999 1.00000 0.99999 1.00002
 0.99996 1.00000 0.99998 1.00001 1.00001
 0.99997 0.99999 0.99999 1.00001 1.00003
 1.00002 0.99999 1.00000 0.99998 1.00000
 1.00003 1.00003 0.99999 0.99996 1.00002
 0.99997 1.00002 1.00001 0.99998 1.00000
 0.99998 0.99998 1.00001 0.99998 1.00000
 1.00001 1.00001 0.99999 0.99999 1.00004
 1.00004 0.99998 1.00000 1.00000 1.00001
 1.00002

 Rtb_to_modes> RTB block-file is being read.
 Rtb_to_modes>    54018 lines found in RTB file.

 Norm of eigenvectors in cartesian coordinates (one expected):
 1.00002 0.99997 1.00001 0.99999 1.00000
 1.00000 0.99998 0.99998 0.99998 1.00003
 0.99998 1.00002 1.00001 1.00005 1.00003
 0.99997 1.00002 1.00002 1.00002 1.00001
 1.00001 0.99997 1.00000 0.99999 1.00002
 1.00001 1.00002 1.00001 1.00001 1.00001
 1.00000 1.00000 0.99995 1.00000 0.99999
 0.99999 1.00001 1.00001 1.00003 1.00002
 1.00001 1.00001 1.00001 1.00000 1.00004
 1.00001 1.00001 1.00001 1.00001 1.00001
 0.99997 1.00002 0.99997 0.99997 1.00001
 1.00005 1.00000 0.99999 1.00003 1.00001
 0.99997 0.99999 1.00000 0.99999 1.00002
 0.99996 1.00000 0.99998 1.00001 1.00001
 0.99997 0.99999 0.99999 1.00001 1.00003
 1.00002 0.99999 1.00000 0.99998 1.00000
 1.00003 1.00003 0.99999 0.99996 1.00002
 0.99997 1.00002 1.00001 0.99998 1.00000
 0.99998 0.99998 1.00001 0.99998 1.00000
 1.00001 1.00001 0.99999 0.99999 1.00004
 1.00004 0.99998 1.00000 1.00000 1.00001
 1.00002

 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> 2401041038363801036.eigenfacs

 Openam> file on opening on unit     10:
 2401041038363801036.eigenfacs                                   
 Getnam> Corresponding pdb filename ?
 Getnam> 2401041038363801036.atom

 Openam> file on opening on unit     11:
 2401041038363801036.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 =    413
            First residue number     =      1
            Last  residue number     =    413
            Number of atoms found    =   3001
            Mean number per residue  =      7.3

 Rdmodfacs> Old Blzpack file format detected.

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     1
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9998E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     2
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9999E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     3
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0000E-09

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     4
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0000E-09

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     5
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0000E-09

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     6
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0000E-09

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     7
 Rdmodfacs> Valeur propre du vecteur en lecture:  5.4793E-06

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     8
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0170E-05

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     9
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.4834E-05

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    10
 Rdmodfacs> Valeur propre du vecteur en lecture:  2.0308E-05

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    11
 Rdmodfacs> Valeur propre du vecteur en lecture:  2.9487E-05

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    12
 Rdmodfacs> Valeur propre du vecteur en lecture:  3.2613E-05

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    13
 Rdmodfacs> Valeur propre du vecteur en lecture:  4.6037E-05

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    14
 Rdmodfacs> Valeur propre du vecteur en lecture:  8.2444E-05

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    15
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.1618E-04

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    16
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.7553E-04

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    17
 Rdmodfacs> Valeur propre du vecteur en lecture:  2.3179E-04

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    18
 Rdmodfacs> Valeur propre du vecteur en lecture:  3.9802E-04

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    19
 Rdmodfacs> Valeur propre du vecteur en lecture:  4.6757E-04

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    20
 Rdmodfacs> Valeur propre du vecteur en lecture:  5.8636E-04

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    21
 Rdmodfacs> Valeur propre du vecteur en lecture:  7.1079E-04

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    22
 Rdmodfacs> Valeur propre du vecteur en lecture:  8.7919E-04

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    23
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.2996E-04

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    24
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0657E-03

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    25
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.2382E-03

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    26
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.3282E-03

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    27
 Rdmodfacs> Valeur propre du vecteur en lecture:  2.0311E-03

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    28
 Rdmodfacs> Valeur propre du vecteur en lecture:  2.2647E-03

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    29
 Rdmodfacs> Valeur propre du vecteur en lecture:  2.5703E-03

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    30
 Rdmodfacs> Valeur propre du vecteur en lecture:  3.1137E-03

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    31
 Rdmodfacs> Valeur propre du vecteur en lecture:  3.8035E-03

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    32
 Rdmodfacs> Valeur propre du vecteur en lecture:  4.2037E-03

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    33
 Rdmodfacs> Valeur propre du vecteur en lecture:  4.4920E-03

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    34
 Rdmodfacs> Valeur propre du vecteur en lecture:  4.8110E-03

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    35
 Rdmodfacs> Valeur propre du vecteur en lecture:  5.7918E-03

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    36
 Rdmodfacs> Valeur propre du vecteur en lecture:  6.2173E-03

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    37
 Rdmodfacs> Valeur propre du vecteur en lecture:  6.9748E-03

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    38
 Rdmodfacs> Valeur propre du vecteur en lecture:  8.0356E-03

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    39
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.5513E-03

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    40
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9401E-03

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    41
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0519E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    42
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.1715E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    43
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.3481E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    44
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.4793E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    45
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.6328E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    46
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.8695E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    47
 Rdmodfacs> Valeur propre du vecteur en lecture:  2.3603E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    48
 Rdmodfacs> Valeur propre du vecteur en lecture:  2.4524E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    49
 Rdmodfacs> Valeur propre du vecteur en lecture:  2.6177E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    50
 Rdmodfacs> Valeur propre du vecteur en lecture:  2.7835E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    51
 Rdmodfacs> Valeur propre du vecteur en lecture:  3.0740E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    52
 Rdmodfacs> Valeur propre du vecteur en lecture:  3.2175E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    53
 Rdmodfacs> Valeur propre du vecteur en lecture:  3.5422E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    54
 Rdmodfacs> Valeur propre du vecteur en lecture:  3.8716E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    55
 Rdmodfacs> Valeur propre du vecteur en lecture:  4.1759E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    56
 Rdmodfacs> Valeur propre du vecteur en lecture:  4.5276E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    57
 Rdmodfacs> Valeur propre du vecteur en lecture:  4.6604E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    58
 Rdmodfacs> Valeur propre du vecteur en lecture:  4.6997E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    59
 Rdmodfacs> Valeur propre du vecteur en lecture:  5.7623E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    60
 Rdmodfacs> Valeur propre du vecteur en lecture:  5.8424E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    61
 Rdmodfacs> Valeur propre du vecteur en lecture:  6.3969E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    62
 Rdmodfacs> Valeur propre du vecteur en lecture:  6.8754E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    63
 Rdmodfacs> Valeur propre du vecteur en lecture:  7.0549E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    64
 Rdmodfacs> Valeur propre du vecteur en lecture:  7.5374E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    65
 Rdmodfacs> Valeur propre du vecteur en lecture:  7.7380E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    66
 Rdmodfacs> Valeur propre du vecteur en lecture:  7.9262E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    67
 Rdmodfacs> Valeur propre du vecteur en lecture:  8.8699E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    68
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.3963E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    69
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.1052    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    70
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.1086    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    71
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.1159    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    72
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.1204    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    73
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.1280    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    74
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.1312    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    75
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.1425    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    76
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.1466    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    77
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.1683    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    78
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.1735    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    79
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.1785    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    80
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.1884    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    81
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.1951    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    82
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.2033    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    83
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.2067    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    84
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.2194    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    85
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.2331    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    86
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.2375    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    87
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.2457    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    88
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.2667    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    89
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.2699    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    90
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.2889    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    91
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.2929    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    92
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.3021    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    93
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.3205    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    94
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.3295    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    95
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.3449    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    96
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.3599    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    97
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.3798    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    98
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.3961    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    99
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.4074    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   100
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.4312    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   101
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.4554    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   102
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.4837    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   103
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.4882    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   104
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.5058    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   105
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.5359    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   106
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.5744    

 Bfactors>  106 vectors,   9003 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  :     0.000005
 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=     -0.079 for    413 C-alpha atoms.
 Bfactors> =   2844.021 +/- ******
 Bfactors> =     58.600 +/-  20.11
 Bfactors> Shiftng-fct=  -2785.421
 Bfactors> Scaling-fct=      0.004

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

 Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401041038363801036 7 -100 100 5 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-95
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-90
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-85
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-80
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-75
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-70
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-65
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-60
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-55
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-50
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-45
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-40
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-35
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-30
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-25
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-20
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-15
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-10
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-5
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=0
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=5
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=10
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=15
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=20
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=25
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=30
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=35
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=40
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=45
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=50
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=55
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=60
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=65
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=70
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=75
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=80
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=85
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=90
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=95
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=100
2401041038363801036.eigenfacs
2401041038363801036.atom
making animated gifs
41 models are in 2401041038363801036.7.pdb, 7 models will be skipped
MODEL 1 will be plotted
MODEL 9 will be plotted
MODEL 17 will be plotted
MODEL 25 will be plotted
MODEL 33 will be plotted
MODEL 41 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
41 models are in 2401041038363801036.7.pdb, 7 models will be skipped
MODEL 1 will be plotted
MODEL 9 will be plotted
MODEL 17 will be plotted
MODEL 25 will be plotted
MODEL 33 will be plotted
MODEL 41 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
41 models are in 2401041038363801036.7.pdb, 7 models will be skipped
MODEL 1 will be plotted
MODEL 9 will be plotted
MODEL 17 will be plotted
MODEL 25 will be plotted
MODEL 33 will be plotted
MODEL 41 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2401041038363801036 8 -100 100 5 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-95
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-90
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-85
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-80
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-75
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-70
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-65
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-60
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-55
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-50
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-45
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-40
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-35
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-30
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-25
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-20
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-15
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-10
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-5
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=0
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=5
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=10
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=15
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=20
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=25
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=30
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=35
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=40
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=45
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=50
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=55
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=60
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=65
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=70
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=75
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=80
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=85
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=90
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=95
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=100
2401041038363801036.eigenfacs
2401041038363801036.atom
making animated gifs
41 models are in 2401041038363801036.8.pdb, 7 models will be skipped
MODEL 1 will be plotted
MODEL 9 will be plotted
MODEL 17 will be plotted
MODEL 25 will be plotted
MODEL 33 will be plotted
MODEL 41 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
41 models are in 2401041038363801036.8.pdb, 7 models will be skipped
MODEL 1 will be plotted
MODEL 9 will be plotted
MODEL 17 will be plotted
MODEL 25 will be plotted
MODEL 33 will be plotted
MODEL 41 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
41 models are in 2401041038363801036.8.pdb, 7 models will be skipped
MODEL 1 will be plotted
MODEL 9 will be plotted
MODEL 17 will be plotted
MODEL 25 will be plotted
MODEL 33 will be plotted
MODEL 41 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2401041038363801036 9 -100 100 5 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-95
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-90
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-85
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-80
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-75
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-70
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-65
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-60
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-55
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-50
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-45
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-40
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-35
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-30
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-25
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-20
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-15
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-10
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-5
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=0
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=5
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=10
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=15
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=20
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=25
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=30
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=35
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=40
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=45
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=50
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=55
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=60
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=65
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=70
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=75
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=80
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=85
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=90
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=95
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=100
2401041038363801036.eigenfacs
2401041038363801036.atom
making animated gifs
41 models are in 2401041038363801036.9.pdb, 7 models will be skipped
MODEL 1 will be plotted
MODEL 9 will be plotted
MODEL 17 will be plotted
MODEL 25 will be plotted
MODEL 33 will be plotted
MODEL 41 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
41 models are in 2401041038363801036.9.pdb, 7 models will be skipped
MODEL 1 will be plotted
MODEL 9 will be plotted
MODEL 17 will be plotted
MODEL 25 will be plotted
MODEL 33 will be plotted
MODEL 41 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
41 models are in 2401041038363801036.9.pdb, 7 models will be skipped
MODEL 1 will be plotted
MODEL 9 will be plotted
MODEL 17 will be plotted
MODEL 25 will be plotted
MODEL 33 will be plotted
MODEL 41 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2401041038363801036 10 -100 100 5 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-95
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-90
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-85
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-80
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-75
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-70
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-65
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-60
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-55
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-50
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-45
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-40
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-35
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-30
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-25
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-20
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-15
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-10
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-5
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=0
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=5
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=10
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=15
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=20
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=25
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=30
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=35
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=40
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=45
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=50
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=55
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=60
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=65
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=70
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=75
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=80
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=85
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=90
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=95
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=100
2401041038363801036.eigenfacs
2401041038363801036.atom
making animated gifs
41 models are in 2401041038363801036.10.pdb, 7 models will be skipped
MODEL 1 will be plotted
MODEL 9 will be plotted
MODEL 17 will be plotted
MODEL 25 will be plotted
MODEL 33 will be plotted
MODEL 41 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
41 models are in 2401041038363801036.10.pdb, 7 models will be skipped
MODEL 1 will be plotted
MODEL 9 will be plotted
MODEL 17 will be plotted
MODEL 25 will be plotted
MODEL 33 will be plotted
MODEL 41 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
41 models are in 2401041038363801036.10.pdb, 7 models will be skipped
MODEL 1 will be plotted
MODEL 9 will be plotted
MODEL 17 will be plotted
MODEL 25 will be plotted
MODEL 33 will be plotted
MODEL 41 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2401041038363801036 11 -100 100 5 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-95
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-90
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-85
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-80
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-75
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-70
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-65
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-60
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-55
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-50
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-45
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-40
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-35
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-30
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-25
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-20
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-15
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-10
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=-5
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=0
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=5
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=10
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=15
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=20
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=25
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=30
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=35
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=40
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=45
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=50
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=55
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=60
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=65
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=70
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=75
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=80
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=85
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=90
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=95
2401041038363801036.eigenfacs
2401041038363801036.atom
calculating perturbed structure for DQ=100
2401041038363801036.eigenfacs
2401041038363801036.atom
making animated gifs
41 models are in 2401041038363801036.11.pdb, 7 models will be skipped
MODEL 1 will be plotted
MODEL 9 will be plotted
MODEL 17 will be plotted
MODEL 25 will be plotted
MODEL 33 will be plotted
MODEL 41 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
41 models are in 2401041038363801036.11.pdb, 7 models will be skipped
MODEL 1 will be plotted
MODEL 9 will be plotted
MODEL 17 will be plotted
MODEL 25 will be plotted
MODEL 33 will be plotted
MODEL 41 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
41 models are in 2401041038363801036.11.pdb, 7 models will be skipped
MODEL 1 will be plotted
MODEL 9 will be plotted
MODEL 17 will be plotted
MODEL 25 will be plotted
MODEL 33 will be plotted
MODEL 41 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2401041038363801036.10.pdb
2401041038363801036.11.pdb
2401041038363801036.7.pdb
2401041038363801036.8.pdb
2401041038363801036.9.pdb



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

real	0m10.581s
user	0m10.552s
sys	0m0.028s
../../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: 2401041038363801036.Chkmod.res: No such file or directory
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
If you find results from this site helpful for your research, please cite one of our papers:
K. Suhre & Y.H. Sanejouand, ElNemo: a normal mode web-server for protein movement analysis and the generation of templates for molecular replacement. Nucleic Acids Research, 32, W610-W614, 2004.
K. Suhre & Y.H. Sanejouand, On the potential of normal mode analysis for solving difficult molecular replacement problems. Acta Cryst. D vol.60, p796-799, 2004 © International Union of Crystallography.
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.
Should you encounter any unexpected behaviour, please let us know.

*** 01-JUN-22 ***

LOGs for ID: 2401041038363801036

output from eigenvector calculation:

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

* 01-JUN-22 *
