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***  HYDROLASE 05-OCT-15 5E3X  ***

LOGs for ID: 240327160220988694

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     = 240327160220988694.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 240327160220988694.atom to be opened.

 Openam> File opened: 240327160220988694.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 =    489
            First residue number     =      1
            Last  residue number     =    489
            Number of atoms found    =   4052
            Mean number per residue  =      8.3

 Pdbmat> Coordinate statistics: 
 =    20.321921 +/-    11.987831 From:    -4.331000 To:    48.063000
 =    17.577629 +/-    11.893325 From:    -9.866000 To:    46.514000
 =    22.489808 +/-    15.176915 From:   -13.692000 To:    58.308000
 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   2.1266 % Filled.
 Pdbmat>      1571318  non-zero elements.
 Pdbmat>       171914 atom-atom interactions.

 Pdbmat> Number per atom=     84.85 +/-     21.83
         Maximum number =    136
         Minimum number =     16

 Pdbmat> Matrix trace   = 3.438280E+06
 Pdbmat> Larger element =  498.995    
 Pdbmat>      0 elements larger than +/-  1.0E+10

 Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
489 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     = 240327160220988694.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 240327160220988694.atom to be opened.

 Openam> file on opening on unit     11:
 240327160220988694.atom                                                                                                         

 Blocpdb> Coordinate file in PDB format.

 Blocpdb>  4052 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>   489 residues.
 Blocpdb>    26 atoms in block      1
 Block first atom:      1
 Blocpdb>    23 atoms in block      2
 Block first atom:     27
 Blocpdb>    33 atoms in block      3
 Block first atom:     50
 Blocpdb>    23 atoms in block      4
 Block first atom:     83
 Blocpdb>    33 atoms in block      5
 Block first atom:    106
 Blocpdb>    16 atoms in block      6
 Block first atom:    139
 Blocpdb>    21 atoms in block      7
 Block first atom:    155
 Blocpdb>    34 atoms in block      8
 Block first atom:    176
 Blocpdb>    24 atoms in block      9
 Block first atom:    210
 Blocpdb>    27 atoms in block     10
 Block first atom:    234
 Blocpdb>    22 atoms in block     11
 Block first atom:    261
 Blocpdb>    23 atoms in block     12
 Block first atom:    283
 Blocpdb>    25 atoms in block     13
 Block first atom:    306
 Blocpdb>    21 atoms in block     14
 Block first atom:    331
 Blocpdb>    21 atoms in block     15
 Block first atom:    352
 Blocpdb>    24 atoms in block     16
 Block first atom:    373
 Blocpdb>    29 atoms in block     17
 Block first atom:    397
 Blocpdb>    23 atoms in block     18
 Block first atom:    426
 Blocpdb>    21 atoms in block     19
 Block first atom:    449
 Blocpdb>    21 atoms in block     20
 Block first atom:    470
 Blocpdb>    24 atoms in block     21
 Block first atom:    491
 Blocpdb>    21 atoms in block     22
 Block first atom:    515
 Blocpdb>    24 atoms in block     23
 Block first atom:    536
 Blocpdb>    25 atoms in block     24
 Block first atom:    560
 Blocpdb>    24 atoms in block     25
 Block first atom:    585
 Blocpdb>    23 atoms in block     26
 Block first atom:    609
 Blocpdb>    27 atoms in block     27
 Block first atom:    632
 Blocpdb>    33 atoms in block     28
 Block first atom:    659
 Blocpdb>    30 atoms in block     29
 Block first atom:    692
 Blocpdb>    21 atoms in block     30
 Block first atom:    722
 Blocpdb>    28 atoms in block     31
 Block first atom:    743
 Blocpdb>    26 atoms in block     32
 Block first atom:    771
 Blocpdb>    23 atoms in block     33
 Block first atom:    797
 Blocpdb>    21 atoms in block     34
 Block first atom:    820
 Blocpdb>    26 atoms in block     35
 Block first atom:    841
 Blocpdb>    32 atoms in block     36
 Block first atom:    867
 Blocpdb>    22 atoms in block     37
 Block first atom:    899
 Blocpdb>    22 atoms in block     38
 Block first atom:    921
 Blocpdb>    28 atoms in block     39
 Block first atom:    943
 Blocpdb>    27 atoms in block     40
 Block first atom:    971
 Blocpdb>    23 atoms in block     41
 Block first atom:    998
 Blocpdb>    26 atoms in block     42
 Block first atom:   1021
 Blocpdb>    23 atoms in block     43
 Block first atom:   1047
 Blocpdb>    26 atoms in block     44
 Block first atom:   1070
 Blocpdb>    25 atoms in block     45
 Block first atom:   1096
 Blocpdb>    20 atoms in block     46
 Block first atom:   1121
 Blocpdb>    25 atoms in block     47
 Block first atom:   1141
 Blocpdb>    28 atoms in block     48
 Block first atom:   1166
 Blocpdb>    21 atoms in block     49
 Block first atom:   1194
 Blocpdb>    24 atoms in block     50
 Block first atom:   1215
 Blocpdb>    28 atoms in block     51
 Block first atom:   1239
 Blocpdb>    21 atoms in block     52
 Block first atom:   1267
 Blocpdb>    23 atoms in block     53
 Block first atom:   1288
 Blocpdb>    24 atoms in block     54
 Block first atom:   1311
 Blocpdb>    25 atoms in block     55
 Block first atom:   1335
 Blocpdb>    27 atoms in block     56
 Block first atom:   1360
 Blocpdb>    27 atoms in block     57
 Block first atom:   1387
 Blocpdb>    23 atoms in block     58
 Block first atom:   1414
 Blocpdb>    26 atoms in block     59
 Block first atom:   1437
 Blocpdb>    28 atoms in block     60
 Block first atom:   1463
 Blocpdb>    24 atoms in block     61
 Block first atom:   1491
 Blocpdb>    23 atoms in block     62
 Block first atom:   1515
 Blocpdb>    26 atoms in block     63
 Block first atom:   1538
 Blocpdb>    28 atoms in block     64
 Block first atom:   1564
 Blocpdb>    19 atoms in block     65
 Block first atom:   1592
 Blocpdb>    27 atoms in block     66
 Block first atom:   1611
 Blocpdb>    26 atoms in block     67
 Block first atom:   1638
 Blocpdb>    30 atoms in block     68
 Block first atom:   1664
 Blocpdb>    30 atoms in block     69
 Block first atom:   1694
 Blocpdb>    29 atoms in block     70
 Block first atom:   1724
 Blocpdb>    26 atoms in block     71
 Block first atom:   1753
 Blocpdb>    24 atoms in block     72
 Block first atom:   1779
 Blocpdb>    23 atoms in block     73
 Block first atom:   1803
 Blocpdb>    21 atoms in block     74
 Block first atom:   1826
 Blocpdb>    25 atoms in block     75
 Block first atom:   1847
 Blocpdb>    23 atoms in block     76
 Block first atom:   1872
 Blocpdb>    20 atoms in block     77
 Block first atom:   1895
 Blocpdb>    26 atoms in block     78
 Block first atom:   1915
 Blocpdb>    22 atoms in block     79
 Block first atom:   1941
 Blocpdb>    31 atoms in block     80
 Block first atom:   1963
 Blocpdb>    23 atoms in block     81
 Block first atom:   1994
 Blocpdb>    27 atoms in block     82
 Block first atom:   2017
 Blocpdb>    26 atoms in block     83
 Block first atom:   2044
 Blocpdb>    21 atoms in block     84
 Block first atom:   2070
 Blocpdb>    30 atoms in block     85
 Block first atom:   2091
 Blocpdb>    19 atoms in block     86
 Block first atom:   2121
 Blocpdb>    25 atoms in block     87
 Block first atom:   2140
 Blocpdb>    22 atoms in block     88
 Block first atom:   2165
 Blocpdb>    23 atoms in block     89
 Block first atom:   2187
 Blocpdb>    27 atoms in block     90
 Block first atom:   2210
 Blocpdb>    23 atoms in block     91
 Block first atom:   2237
 Blocpdb>    16 atoms in block     92
 Block first atom:   2260
 Blocpdb>    23 atoms in block     93
 Block first atom:   2276
 Blocpdb>    23 atoms in block     94
 Block first atom:   2299
 Blocpdb>    24 atoms in block     95
 Block first atom:   2322
 Blocpdb>    28 atoms in block     96
 Block first atom:   2346
 Blocpdb>    31 atoms in block     97
 Block first atom:   2374
 Blocpdb>    18 atoms in block     98
 Block first atom:   2405
 Blocpdb>    25 atoms in block     99
 Block first atom:   2423
 Blocpdb>    30 atoms in block    100
 Block first atom:   2448
 Blocpdb>    21 atoms in block    101
 Block first atom:   2478
 Blocpdb>    27 atoms in block    102
 Block first atom:   2499
 Blocpdb>    28 atoms in block    103
 Block first atom:   2526
 Blocpdb>    22 atoms in block    104
 Block first atom:   2554
 Blocpdb>    28 atoms in block    105
 Block first atom:   2576
 Blocpdb>    22 atoms in block    106
 Block first atom:   2604
 Blocpdb>    25 atoms in block    107
 Block first atom:   2626
 Blocpdb>    33 atoms in block    108
 Block first atom:   2651
 Blocpdb>    20 atoms in block    109
 Block first atom:   2684
 Blocpdb>    27 atoms in block    110
 Block first atom:   2704
 Blocpdb>    28 atoms in block    111
 Block first atom:   2731
 Blocpdb>    26 atoms in block    112
 Block first atom:   2759
 Blocpdb>    22 atoms in block    113
 Block first atom:   2785
 Blocpdb>    23 atoms in block    114
 Block first atom:   2807
 Blocpdb>    28 atoms in block    115
 Block first atom:   2830
 Blocpdb>    26 atoms in block    116
 Block first atom:   2858
 Blocpdb>    30 atoms in block    117
 Block first atom:   2884
 Blocpdb>    26 atoms in block    118
 Block first atom:   2914
 Blocpdb>    28 atoms in block    119
 Block first atom:   2940
 Blocpdb>    20 atoms in block    120
 Block first atom:   2968
 Blocpdb>    23 atoms in block    121
 Block first atom:   2988
 Blocpdb>    24 atoms in block    122
 Block first atom:   3011
 Blocpdb>    22 atoms in block    123
 Block first atom:   3035
 Blocpdb>    31 atoms in block    124
 Block first atom:   3057
 Blocpdb>    29 atoms in block    125
 Block first atom:   3088
 Blocpdb>    30 atoms in block    126
 Block first atom:   3117
 Blocpdb>    20 atoms in block    127
 Block first atom:   3147
 Blocpdb>    22 atoms in block    128
 Block first atom:   3167
 Blocpdb>    23 atoms in block    129
 Block first atom:   3189
 Blocpdb>    18 atoms in block    130
 Block first atom:   3212
 Blocpdb>    25 atoms in block    131
 Block first atom:   3230
 Blocpdb>    31 atoms in block    132
 Block first atom:   3255
 Blocpdb>    19 atoms in block    133
 Block first atom:   3286
 Blocpdb>    23 atoms in block    134
 Block first atom:   3305
 Blocpdb>    30 atoms in block    135
 Block first atom:   3328
 Blocpdb>    24 atoms in block    136
 Block first atom:   3358
 Blocpdb>    20 atoms in block    137
 Block first atom:   3382
 Blocpdb>    25 atoms in block    138
 Block first atom:   3402
 Blocpdb>    22 atoms in block    139
 Block first atom:   3427
 Blocpdb>    29 atoms in block    140
 Block first atom:   3449
 Blocpdb>    26 atoms in block    141
 Block first atom:   3478
 Blocpdb>    25 atoms in block    142
 Block first atom:   3504
 Blocpdb>    29 atoms in block    143
 Block first atom:   3529
 Blocpdb>    20 atoms in block    144
 Block first atom:   3558
 Blocpdb>    17 atoms in block    145
 Block first atom:   3578
 Blocpdb>    28 atoms in block    146
 Block first atom:   3595
 Blocpdb>    25 atoms in block    147
 Block first atom:   3623
 Blocpdb>    28 atoms in block    148
 Block first atom:   3648
 Blocpdb>    26 atoms in block    149
 Block first atom:   3676
 Blocpdb>    25 atoms in block    150
 Block first atom:   3702
 Blocpdb>    21 atoms in block    151
 Block first atom:   3727
 Blocpdb>    28 atoms in block    152
 Block first atom:   3748
 Blocpdb>    22 atoms in block    153
 Block first atom:   3776
 Blocpdb>    25 atoms in block    154
 Block first atom:   3798
 Blocpdb>    18 atoms in block    155
 Block first atom:   3823
 Blocpdb>    24 atoms in block    156
 Block first atom:   3841
 Blocpdb>    27 atoms in block    157
 Block first atom:   3865
 Blocpdb>    24 atoms in block    158
 Block first atom:   3892
 Blocpdb>    31 atoms in block    159
 Block first atom:   3916
 Blocpdb>    26 atoms in block    160
 Block first atom:   3947
 Blocpdb>    27 atoms in block    161
 Block first atom:   3973
 Blocpdb>    28 atoms in block    162
 Block first atom:   4000
 Blocpdb>    25 atoms in block    163
 Block first atom:   4027

 Blocpdb>   163 blocks.

 Blocpdb> At most,     34 atoms in each of them.
 Blocpdb> At least,    16 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>      1571481 matrix lines read.

 Prepmat> Matrix order    =      12156

 Prepmat> Matrix trace    =    3438280.0000
 Prepmat> Last element read:   12156  12156       173.4344
 Prepmat>        13367 lines saved.
 Prepmat>        11674 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:  4052
 RTB> Total mass =        4052.0000
 RTB> Number of atoms found in matrix:  4052
 RTB> Number of blocks =   163
 RTB> Projection begins.
 RTB> Projected matrix is being saved.
 RTB> Projected matrix trace =  216726.8657
 RTB>     58467 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 =      978
 Diagstd> Nb of non-zero elements:    58467
 Diagstd> Projected matrix trace =  216726.8657

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

 Diagstd>    978 eigenvectors are computed. 
 Diagstd>    106 of them to be saved. 

 Diagstd> Sum of eigenvalues = 216726.8657
 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      2.5169980      3.5432085      3.6216145      4.7319281
      5.0352857      6.2222820      7.4770291      7.5909820      8.4545987
     10.0702624     10.3983649     10.9607727     11.3967630     12.6400520
     13.0099321     13.6096404     14.3957179     15.7666772     16.2010802
     17.2838438     17.6770144     18.8206774     19.3899862     20.4236786
     20.9745249     22.5546481     22.7866578     23.5882899     24.4968923
     25.3739468     26.1434771     26.5141430     26.8013598     27.6618847
     28.5438645     28.8450382     29.5016550     30.5385017     31.3009146
     32.1343517     32.3168909     33.4082599     33.7893245     34.7877872
     36.0218056     36.3781706     37.2578444     37.7514008     38.4505017
     38.8335211     39.3860110     40.3101812     40.7308813     41.3444343
     41.7621940     42.9399580     43.3333797     44.4239154     44.9197451
     45.1027287     46.2696690     46.6975223     47.0941005     47.4347337
     47.6092149     48.6558748     48.8813955     49.7058348     50.2774166
     50.8594839     51.1793619     52.4685828     53.0401524     53.3346243
     53.6519685     54.5192235     54.8639748     55.2206696     55.6469600
     56.0715644     56.4275894     57.1194358     57.7737190     58.5096190
     59.1242823     60.1860886     60.5669881     61.1632100     61.3027629
     62.1211529     62.5350727     62.7334233     63.4803966     64.0974807
     64.5139226     65.1002662     65.7024969     66.1994126     66.6210535
     67.1496845

 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
      0.0034313      0.0034328      0.0034335      0.0034340      0.0034342
      0.0034358    172.2807339    204.4059965    206.6552260    236.2187392
    243.6729608    270.8757481    296.9339236    299.1880620    315.7488515
    344.6003173    350.1690889    359.5140489    366.5945799    386.0732499
    391.6812613    400.6070662    412.0139715    431.1867124    437.0863729
    451.4560186    456.5619753    471.0997841    478.1718776    490.7522094
    497.3262083    515.7192091    518.3649108    527.4041080    537.4657280
    547.0024763    555.2351531    559.1574012    562.1778045    571.1315651
    580.1651877    583.2178926    589.8186087    600.0938048    607.5384854
    615.5736929    617.3196003    627.6567562    631.2262270    640.4845863
    651.7454675    654.9614030    662.8330313    667.2088775    673.3584057
    676.7038787    681.5006578    689.4498091    693.0382169    698.2385248
    701.7572907    711.5838583    714.8362397    723.7751984    727.8031351
    729.2840053    738.6581208    742.0654287    745.2097590    747.8999665
    749.2742197    757.4656152    759.2190176    765.5947843    769.9841003
    774.4283709    776.8599165    786.5837082    790.8564519    793.0487784
    795.4046231    801.8074942    804.3386066    806.9490497    810.0577886
    813.1424177    815.7198468    820.7052941    825.3923566    830.6324915
    834.9841300    842.4484595    845.1100553    849.2595031    850.2278072
    855.8842489    858.7309379    860.0917337    865.1971817    869.3922418
    872.2118941    876.1665371    880.2098360    883.5321314    886.3413861
    889.8509500

 Diagstd> Normal end.

 Rtb_to_modes> Entering in.

 Rtb_to_modes> Number of atoms in temporary block-file =   4052
 Rtb_to_modes> Number of blocs =    163

 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:  9.9847E-10

 Rdmodfacs> Eigenvector number:     2
 Rdmodfacs> Corresponding eigenvalue:  9.9931E-10

 Rdmodfacs> Eigenvector number:     3
 Rdmodfacs> Corresponding eigenvalue:  9.9976E-10

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

 Rdmodfacs> Eigenvector number:     5
 Rdmodfacs> Corresponding eigenvalue:  1.0002E-09

 Rdmodfacs> Eigenvector number:     6
 Rdmodfacs> Corresponding eigenvalue:  1.0011E-09

 Rdmodfacs> Eigenvector number:     7
 Rdmodfacs> Corresponding eigenvalue:   2.517    

 Rdmodfacs> Eigenvector number:     8
 Rdmodfacs> Corresponding eigenvalue:   3.543    

 Rdmodfacs> Eigenvector number:     9
 Rdmodfacs> Corresponding eigenvalue:   3.622    

 Rdmodfacs> Eigenvector number:    10
 Rdmodfacs> Corresponding eigenvalue:   4.732    

 Rdmodfacs> Eigenvector number:    11
 Rdmodfacs> Corresponding eigenvalue:   5.035    

 Rdmodfacs> Eigenvector number:    12
 Rdmodfacs> Corresponding eigenvalue:   6.222    

 Rdmodfacs> Eigenvector number:    13
 Rdmodfacs> Corresponding eigenvalue:   7.477    

 Rdmodfacs> Eigenvector number:    14
 Rdmodfacs> Corresponding eigenvalue:   7.591    

 Rdmodfacs> Eigenvector number:    15
 Rdmodfacs> Corresponding eigenvalue:   8.455    

 Rdmodfacs> Eigenvector number:    16
 Rdmodfacs> Corresponding eigenvalue:   10.07    

 Rdmodfacs> Eigenvector number:    17
 Rdmodfacs> Corresponding eigenvalue:   10.40    

 Rdmodfacs> Eigenvector number:    18
 Rdmodfacs> Corresponding eigenvalue:   10.96    

 Rdmodfacs> Eigenvector number:    19
 Rdmodfacs> Corresponding eigenvalue:   11.40    

 Rdmodfacs> Eigenvector number:    20
 Rdmodfacs> Corresponding eigenvalue:   12.64    

 Rdmodfacs> Eigenvector number:    21
 Rdmodfacs> Corresponding eigenvalue:   13.01    

 Rdmodfacs> Eigenvector number:    22
 Rdmodfacs> Corresponding eigenvalue:   13.61    

 Rdmodfacs> Eigenvector number:    23
 Rdmodfacs> Corresponding eigenvalue:   14.40    

 Rdmodfacs> Eigenvector number:    24
 Rdmodfacs> Corresponding eigenvalue:   15.77    

 Rdmodfacs> Eigenvector number:    25
 Rdmodfacs> Corresponding eigenvalue:   16.20    

 Rdmodfacs> Eigenvector number:    26
 Rdmodfacs> Corresponding eigenvalue:   17.28    

 Rdmodfacs> Eigenvector number:    27
 Rdmodfacs> Corresponding eigenvalue:   17.68    

 Rdmodfacs> Eigenvector number:    28
 Rdmodfacs> Corresponding eigenvalue:   18.82    

 Rdmodfacs> Eigenvector number:    29
 Rdmodfacs> Corresponding eigenvalue:   19.39    

 Rdmodfacs> Eigenvector number:    30
 Rdmodfacs> Corresponding eigenvalue:   20.42    

 Rdmodfacs> Eigenvector number:    31
 Rdmodfacs> Corresponding eigenvalue:   20.97    

 Rdmodfacs> Eigenvector number:    32
 Rdmodfacs> Corresponding eigenvalue:   22.55    

 Rdmodfacs> Eigenvector number:    33
 Rdmodfacs> Corresponding eigenvalue:   22.79    

 Rdmodfacs> Eigenvector number:    34
 Rdmodfacs> Corresponding eigenvalue:   23.59    

 Rdmodfacs> Eigenvector number:    35
 Rdmodfacs> Corresponding eigenvalue:   24.50    

 Rdmodfacs> Eigenvector number:    36
 Rdmodfacs> Corresponding eigenvalue:   25.37    

 Rdmodfacs> Eigenvector number:    37
 Rdmodfacs> Corresponding eigenvalue:   26.14    

 Rdmodfacs> Eigenvector number:    38
 Rdmodfacs> Corresponding eigenvalue:   26.51    

 Rdmodfacs> Eigenvector number:    39
 Rdmodfacs> Corresponding eigenvalue:   26.80    

 Rdmodfacs> Eigenvector number:    40
 Rdmodfacs> Corresponding eigenvalue:   27.66    

 Rdmodfacs> Eigenvector number:    41
 Rdmodfacs> Corresponding eigenvalue:   28.54    

 Rdmodfacs> Eigenvector number:    42
 Rdmodfacs> Corresponding eigenvalue:   28.85    

 Rdmodfacs> Eigenvector number:    43
 Rdmodfacs> Corresponding eigenvalue:   29.50    

 Rdmodfacs> Eigenvector number:    44
 Rdmodfacs> Corresponding eigenvalue:   30.54    

 Rdmodfacs> Eigenvector number:    45
 Rdmodfacs> Corresponding eigenvalue:   31.30    

 Rdmodfacs> Eigenvector number:    46
 Rdmodfacs> Corresponding eigenvalue:   32.13    

 Rdmodfacs> Eigenvector number:    47
 Rdmodfacs> Corresponding eigenvalue:   32.32    

 Rdmodfacs> Eigenvector number:    48
 Rdmodfacs> Corresponding eigenvalue:   33.41    

 Rdmodfacs> Eigenvector number:    49
 Rdmodfacs> Corresponding eigenvalue:   33.79    

 Rdmodfacs> Eigenvector number:    50
 Rdmodfacs> Corresponding eigenvalue:   34.79    

 Rdmodfacs> Eigenvector number:    51
 Rdmodfacs> Corresponding eigenvalue:   36.02    

 Rdmodfacs> Eigenvector number:    52
 Rdmodfacs> Corresponding eigenvalue:   36.38    

 Rdmodfacs> Eigenvector number:    53
 Rdmodfacs> Corresponding eigenvalue:   37.26    

 Rdmodfacs> Eigenvector number:    54
 Rdmodfacs> Corresponding eigenvalue:   37.75    

 Rdmodfacs> Eigenvector number:    55
 Rdmodfacs> Corresponding eigenvalue:   38.45    

 Rdmodfacs> Eigenvector number:    56
 Rdmodfacs> Corresponding eigenvalue:   38.83    

 Rdmodfacs> Eigenvector number:    57
 Rdmodfacs> Corresponding eigenvalue:   39.39    

 Rdmodfacs> Eigenvector number:    58
 Rdmodfacs> Corresponding eigenvalue:   40.31    

 Rdmodfacs> Eigenvector number:    59
 Rdmodfacs> Corresponding eigenvalue:   40.73    

 Rdmodfacs> Eigenvector number:    60
 Rdmodfacs> Corresponding eigenvalue:   41.34    

 Rdmodfacs> Eigenvector number:    61
 Rdmodfacs> Corresponding eigenvalue:   41.76    

 Rdmodfacs> Eigenvector number:    62
 Rdmodfacs> Corresponding eigenvalue:   42.94    

 Rdmodfacs> Eigenvector number:    63
 Rdmodfacs> Corresponding eigenvalue:   43.33    

 Rdmodfacs> Eigenvector number:    64
 Rdmodfacs> Corresponding eigenvalue:   44.42    

 Rdmodfacs> Eigenvector number:    65
 Rdmodfacs> Corresponding eigenvalue:   44.92    

 Rdmodfacs> Eigenvector number:    66
 Rdmodfacs> Corresponding eigenvalue:   45.10    

 Rdmodfacs> Eigenvector number:    67
 Rdmodfacs> Corresponding eigenvalue:   46.27    

 Rdmodfacs> Eigenvector number:    68
 Rdmodfacs> Corresponding eigenvalue:   46.70    

 Rdmodfacs> Eigenvector number:    69
 Rdmodfacs> Corresponding eigenvalue:   47.09    

 Rdmodfacs> Eigenvector number:    70
 Rdmodfacs> Corresponding eigenvalue:   47.43    

 Rdmodfacs> Eigenvector number:    71
 Rdmodfacs> Corresponding eigenvalue:   47.61    

 Rdmodfacs> Eigenvector number:    72
 Rdmodfacs> Corresponding eigenvalue:   48.66    

 Rdmodfacs> Eigenvector number:    73
 Rdmodfacs> Corresponding eigenvalue:   48.88    

 Rdmodfacs> Eigenvector number:    74
 Rdmodfacs> Corresponding eigenvalue:   49.71    

 Rdmodfacs> Eigenvector number:    75
 Rdmodfacs> Corresponding eigenvalue:   50.28    

 Rdmodfacs> Eigenvector number:    76
 Rdmodfacs> Corresponding eigenvalue:   50.86    

 Rdmodfacs> Eigenvector number:    77
 Rdmodfacs> Corresponding eigenvalue:   51.18    

 Rdmodfacs> Eigenvector number:    78
 Rdmodfacs> Corresponding eigenvalue:   52.47    

 Rdmodfacs> Eigenvector number:    79
 Rdmodfacs> Corresponding eigenvalue:   53.04    

 Rdmodfacs> Eigenvector number:    80
 Rdmodfacs> Corresponding eigenvalue:   53.33    

 Rdmodfacs> Eigenvector number:    81
 Rdmodfacs> Corresponding eigenvalue:   53.65    

 Rdmodfacs> Eigenvector number:    82
 Rdmodfacs> Corresponding eigenvalue:   54.52    

 Rdmodfacs> Eigenvector number:    83
 Rdmodfacs> Corresponding eigenvalue:   54.86    

 Rdmodfacs> Eigenvector number:    84
 Rdmodfacs> Corresponding eigenvalue:   55.22    

 Rdmodfacs> Eigenvector number:    85
 Rdmodfacs> Corresponding eigenvalue:   55.65    

 Rdmodfacs> Eigenvector number:    86
 Rdmodfacs> Corresponding eigenvalue:   56.07    

 Rdmodfacs> Eigenvector number:    87
 Rdmodfacs> Corresponding eigenvalue:   56.43    

 Rdmodfacs> Eigenvector number:    88
 Rdmodfacs> Corresponding eigenvalue:   57.12    

 Rdmodfacs> Eigenvector number:    89
 Rdmodfacs> Corresponding eigenvalue:   57.77    

 Rdmodfacs> Eigenvector number:    90
 Rdmodfacs> Corresponding eigenvalue:   58.51    

 Rdmodfacs> Eigenvector number:    91
 Rdmodfacs> Corresponding eigenvalue:   59.12    

 Rdmodfacs> Eigenvector number:    92
 Rdmodfacs> Corresponding eigenvalue:   60.19    

 Rdmodfacs> Eigenvector number:    93
 Rdmodfacs> Corresponding eigenvalue:   60.57    

 Rdmodfacs> Eigenvector number:    94
 Rdmodfacs> Corresponding eigenvalue:   61.16    

 Rdmodfacs> Eigenvector number:    95
 Rdmodfacs> Corresponding eigenvalue:   61.30    

 Rdmodfacs> Eigenvector number:    96
 Rdmodfacs> Corresponding eigenvalue:   62.12    

 Rdmodfacs> Eigenvector number:    97
 Rdmodfacs> Corresponding eigenvalue:   62.54    

 Rdmodfacs> Eigenvector number:    98
 Rdmodfacs> Corresponding eigenvalue:   62.73    

 Rdmodfacs> Eigenvector number:    99
 Rdmodfacs> Corresponding eigenvalue:   63.48    

 Rdmodfacs> Eigenvector number:   100
 Rdmodfacs> Corresponding eigenvalue:   64.10    

 Rdmodfacs> Eigenvector number:   101
 Rdmodfacs> Corresponding eigenvalue:   64.51    

 Rdmodfacs> Eigenvector number:   102
 Rdmodfacs> Corresponding eigenvalue:   65.10    

 Rdmodfacs> Eigenvector number:   103
 Rdmodfacs> Corresponding eigenvalue:   65.70    

 Rdmodfacs> Eigenvector number:   104
 Rdmodfacs> Corresponding eigenvalue:   66.20    

 Rdmodfacs> Eigenvector number:   105
 Rdmodfacs> Corresponding eigenvalue:   66.62    

 Rdmodfacs> Eigenvector number:   106
 Rdmodfacs> Corresponding eigenvalue:   67.15    

 Rtb_to_modes>  106 vectors, with    978 coordinates in vector file.

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

 Rtb_to_modes> RTB block-file is being read.
 Rtb_to_modes>    72936 lines found in RTB file.

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

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

 Rtb_to_modes>   106 eigenvectors saved.

 Rtb_to_modes> Normal end.

 Diagrtb> Normal end.
B-factor analysis
 Bfactors> Version 1.22, Bordeaux.                
 Getnam> Eigenvector filename ?
 Getnam> 240327160220988694.eigenfacs

 Openam> file on opening on unit     10:
 240327160220988694.eigenfacs                                    
 Getnam> Corresponding pdb filename ?
 Getnam> 240327160220988694.atom

 Openam> file on opening on unit     11:
 240327160220988694.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 =    489
            First residue number     =      1
            Last  residue number     =    489
            Number of atoms found    =   4052
            Mean number per residue  =      8.3

 Rdmodfacs> Old Blzpack file format detected.

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     1
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9847E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     2
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9931E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     3
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9976E-10

 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:  1.0002E-09

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     6
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0011E-09

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     7
 Rdmodfacs> Valeur propre du vecteur en lecture:   2.517    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     8
 Rdmodfacs> Valeur propre du vecteur en lecture:   3.543    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     9
 Rdmodfacs> Valeur propre du vecteur en lecture:   3.622    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    10
 Rdmodfacs> Valeur propre du vecteur en lecture:   4.732    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    11
 Rdmodfacs> Valeur propre du vecteur en lecture:   5.035    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    12
 Rdmodfacs> Valeur propre du vecteur en lecture:   6.222    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    13
 Rdmodfacs> Valeur propre du vecteur en lecture:   7.477    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    14
 Rdmodfacs> Valeur propre du vecteur en lecture:   7.591    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    15
 Rdmodfacs> Valeur propre du vecteur en lecture:   8.455    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    16
 Rdmodfacs> Valeur propre du vecteur en lecture:   10.07    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    17
 Rdmodfacs> Valeur propre du vecteur en lecture:   10.40    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    18
 Rdmodfacs> Valeur propre du vecteur en lecture:   10.96    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    19
 Rdmodfacs> Valeur propre du vecteur en lecture:   11.40    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    20
 Rdmodfacs> Valeur propre du vecteur en lecture:   12.64    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    21
 Rdmodfacs> Valeur propre du vecteur en lecture:   13.01    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    22
 Rdmodfacs> Valeur propre du vecteur en lecture:   13.61    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    23
 Rdmodfacs> Valeur propre du vecteur en lecture:   14.40    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    24
 Rdmodfacs> Valeur propre du vecteur en lecture:   15.77    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    25
 Rdmodfacs> Valeur propre du vecteur en lecture:   16.20    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    26
 Rdmodfacs> Valeur propre du vecteur en lecture:   17.28    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    27
 Rdmodfacs> Valeur propre du vecteur en lecture:   17.68    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    28
 Rdmodfacs> Valeur propre du vecteur en lecture:   18.82    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    29
 Rdmodfacs> Valeur propre du vecteur en lecture:   19.39    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    30
 Rdmodfacs> Valeur propre du vecteur en lecture:   20.42    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    31
 Rdmodfacs> Valeur propre du vecteur en lecture:   20.97    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    32
 Rdmodfacs> Valeur propre du vecteur en lecture:   22.55    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    33
 Rdmodfacs> Valeur propre du vecteur en lecture:   22.79    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    34
 Rdmodfacs> Valeur propre du vecteur en lecture:   23.59    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    35
 Rdmodfacs> Valeur propre du vecteur en lecture:   24.50    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    36
 Rdmodfacs> Valeur propre du vecteur en lecture:   25.37    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    37
 Rdmodfacs> Valeur propre du vecteur en lecture:   26.14    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    38
 Rdmodfacs> Valeur propre du vecteur en lecture:   26.51    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    39
 Rdmodfacs> Valeur propre du vecteur en lecture:   26.80    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    40
 Rdmodfacs> Valeur propre du vecteur en lecture:   27.66    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    41
 Rdmodfacs> Valeur propre du vecteur en lecture:   28.54    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    42
 Rdmodfacs> Valeur propre du vecteur en lecture:   28.85    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    43
 Rdmodfacs> Valeur propre du vecteur en lecture:   29.50    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    44
 Rdmodfacs> Valeur propre du vecteur en lecture:   30.54    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    45
 Rdmodfacs> Valeur propre du vecteur en lecture:   31.30    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    46
 Rdmodfacs> Valeur propre du vecteur en lecture:   32.13    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    47
 Rdmodfacs> Valeur propre du vecteur en lecture:   32.32    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    48
 Rdmodfacs> Valeur propre du vecteur en lecture:   33.41    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    49
 Rdmodfacs> Valeur propre du vecteur en lecture:   33.79    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    50
 Rdmodfacs> Valeur propre du vecteur en lecture:   34.79    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    51
 Rdmodfacs> Valeur propre du vecteur en lecture:   36.02    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    52
 Rdmodfacs> Valeur propre du vecteur en lecture:   36.38    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    53
 Rdmodfacs> Valeur propre du vecteur en lecture:   37.26    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    54
 Rdmodfacs> Valeur propre du vecteur en lecture:   37.75    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    55
 Rdmodfacs> Valeur propre du vecteur en lecture:   38.45    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    56
 Rdmodfacs> Valeur propre du vecteur en lecture:   38.83    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    57
 Rdmodfacs> Valeur propre du vecteur en lecture:   39.39    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    58
 Rdmodfacs> Valeur propre du vecteur en lecture:   40.31    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    59
 Rdmodfacs> Valeur propre du vecteur en lecture:   40.73    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    60
 Rdmodfacs> Valeur propre du vecteur en lecture:   41.34    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    61
 Rdmodfacs> Valeur propre du vecteur en lecture:   41.76    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    62
 Rdmodfacs> Valeur propre du vecteur en lecture:   42.94    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    63
 Rdmodfacs> Valeur propre du vecteur en lecture:   43.33    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    64
 Rdmodfacs> Valeur propre du vecteur en lecture:   44.42    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    65
 Rdmodfacs> Valeur propre du vecteur en lecture:   44.92    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    66
 Rdmodfacs> Valeur propre du vecteur en lecture:   45.10    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    67
 Rdmodfacs> Valeur propre du vecteur en lecture:   46.27    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    68
 Rdmodfacs> Valeur propre du vecteur en lecture:   46.70    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    69
 Rdmodfacs> Valeur propre du vecteur en lecture:   47.09    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    70
 Rdmodfacs> Valeur propre du vecteur en lecture:   47.43    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    71
 Rdmodfacs> Valeur propre du vecteur en lecture:   47.61    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    72
 Rdmodfacs> Valeur propre du vecteur en lecture:   48.66    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    73
 Rdmodfacs> Valeur propre du vecteur en lecture:   48.88    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    74
 Rdmodfacs> Valeur propre du vecteur en lecture:   49.71    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    75
 Rdmodfacs> Valeur propre du vecteur en lecture:   50.28    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    76
 Rdmodfacs> Valeur propre du vecteur en lecture:   50.86    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    77
 Rdmodfacs> Valeur propre du vecteur en lecture:   51.18    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    78
 Rdmodfacs> Valeur propre du vecteur en lecture:   52.47    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    79
 Rdmodfacs> Valeur propre du vecteur en lecture:   53.04    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    80
 Rdmodfacs> Valeur propre du vecteur en lecture:   53.33    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    81
 Rdmodfacs> Valeur propre du vecteur en lecture:   53.65    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    82
 Rdmodfacs> Valeur propre du vecteur en lecture:   54.52    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    83
 Rdmodfacs> Valeur propre du vecteur en lecture:   54.86    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    84
 Rdmodfacs> Valeur propre du vecteur en lecture:   55.22    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    85
 Rdmodfacs> Valeur propre du vecteur en lecture:   55.65    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    86
 Rdmodfacs> Valeur propre du vecteur en lecture:   56.07    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    87
 Rdmodfacs> Valeur propre du vecteur en lecture:   56.43    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    88
 Rdmodfacs> Valeur propre du vecteur en lecture:   57.12    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    89
 Rdmodfacs> Valeur propre du vecteur en lecture:   57.77    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    90
 Rdmodfacs> Valeur propre du vecteur en lecture:   58.51    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    91
 Rdmodfacs> Valeur propre du vecteur en lecture:   59.12    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    92
 Rdmodfacs> Valeur propre du vecteur en lecture:   60.19    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    93
 Rdmodfacs> Valeur propre du vecteur en lecture:   60.57    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    94
 Rdmodfacs> Valeur propre du vecteur en lecture:   61.16    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    95
 Rdmodfacs> Valeur propre du vecteur en lecture:   61.30    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    96
 Rdmodfacs> Valeur propre du vecteur en lecture:   62.12    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    97
 Rdmodfacs> Valeur propre du vecteur en lecture:   62.54    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    98
 Rdmodfacs> Valeur propre du vecteur en lecture:   62.73    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    99
 Rdmodfacs> Valeur propre du vecteur en lecture:   63.48    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   100
 Rdmodfacs> Valeur propre du vecteur en lecture:   64.10    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   101
 Rdmodfacs> Valeur propre du vecteur en lecture:   64.51    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   102
 Rdmodfacs> Valeur propre du vecteur en lecture:   65.10    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   103
 Rdmodfacs> Valeur propre du vecteur en lecture:   65.70    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   104
 Rdmodfacs> Valeur propre du vecteur en lecture:   66.20    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   105
 Rdmodfacs> Valeur propre du vecteur en lecture:   66.62    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   106
 Rdmodfacs> Valeur propre du vecteur en lecture:   67.15    

 Bfactors>  106 vectors,  12156 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  :     2.517000
 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=      0.230 for    489 C-alpha atoms.
 Bfactors> =      0.017 +/-   0.02
 Bfactors> =     24.658 +/-  11.17
 Bfactors> Shiftng-fct=     24.641
 Bfactors> Scaling-fct=    678.316

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

 Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240327160220988694 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.7.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 240327160220988694.7.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 240327160220988694.7.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 240327160220988694 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.8.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 240327160220988694.8.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 240327160220988694.8.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 240327160220988694 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.9.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 240327160220988694.9.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 240327160220988694.9.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 240327160220988694 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.10.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 240327160220988694.10.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 240327160220988694.10.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 240327160220988694 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.11.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 240327160220988694.11.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 240327160220988694.11.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 240327160220988694 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.12.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 240327160220988694.12.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 240327160220988694.12.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 240327160220988694 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.13.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 240327160220988694.13.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 240327160220988694.13.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 240327160220988694 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.14.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 240327160220988694.14.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 240327160220988694.14.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 240327160220988694 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.15.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 240327160220988694.15.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 240327160220988694.15.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 240327160220988694 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.16.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 240327160220988694.16.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 240327160220988694.16.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 240327160220988694 17 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.17.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 240327160220988694.17.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 240327160220988694.17.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 240327160220988694 18 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.18.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 240327160220988694.18.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 240327160220988694.18.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 240327160220988694 19 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.19.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 240327160220988694.19.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 240327160220988694.19.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 240327160220988694 20 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.20.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 240327160220988694.20.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 240327160220988694.20.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 240327160220988694 21 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.21.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 240327160220988694.21.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 240327160220988694.21.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 240327160220988694 22 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.22.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 240327160220988694.22.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 240327160220988694.22.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 240327160220988694 23 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.23.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 240327160220988694.23.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 240327160220988694.23.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 240327160220988694 24 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.24.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 240327160220988694.24.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 240327160220988694.24.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 240327160220988694 25 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.25.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 240327160220988694.25.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 240327160220988694.25.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 240327160220988694 26 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.26.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 240327160220988694.26.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 240327160220988694.26.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 240327160220988694 27 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.27.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 240327160220988694.27.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 240327160220988694.27.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 240327160220988694 28 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.28.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 240327160220988694.28.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 240327160220988694.28.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 240327160220988694 29 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.29.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 240327160220988694.29.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 240327160220988694.29.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 240327160220988694 30 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.30.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 240327160220988694.30.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 240327160220988694.30.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 240327160220988694 31 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=-20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=0
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=20
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=40
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=60
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=80
240327160220988694.eigenfacs
240327160220988694.atom
calculating perturbed structure for DQ=100
240327160220988694.eigenfacs
240327160220988694.atom
making animated gifs
11 models are in 240327160220988694.31.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 240327160220988694.31.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 240327160220988694.31.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
240327160220988694.10.pdb
240327160220988694.11.pdb
240327160220988694.12.pdb
240327160220988694.13.pdb
240327160220988694.14.pdb
240327160220988694.15.pdb
240327160220988694.16.pdb
240327160220988694.17.pdb
240327160220988694.18.pdb
240327160220988694.19.pdb
240327160220988694.20.pdb
240327160220988694.21.pdb
240327160220988694.22.pdb
240327160220988694.23.pdb
240327160220988694.24.pdb
240327160220988694.25.pdb
240327160220988694.26.pdb
240327160220988694.27.pdb
240327160220988694.28.pdb
240327160220988694.29.pdb
240327160220988694.30.pdb
240327160220988694.31.pdb
240327160220988694.7.pdb
240327160220988694.8.pdb
240327160220988694.9.pdb



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

real	0m18.468s
user	0m18.404s
sys	0m0.064s
../../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: 240327160220988694.Chkmod.res: No such file or directory
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.