*** 6x3u ***
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 = 2403121504002936075.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 2403121504002936075.atom to be opened.
Openam> File opened: 2403121504002936075.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 = 1677
First residue number = 7
Last residue number = 357
Number of atoms found = 13653
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= 119.135801 +/- 22.354812 From: 63.751000 To: 174.772000
= 120.379284 +/- 18.251617 From: 77.483000 To: 167.791000
= 121.105459 +/- 26.005132 From: 59.261000 To: 178.625000
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 0.6033 % Filled.
Pdbmat> 5060325 non-zero elements.
Pdbmat> 553253 atom-atom interactions.
Pdbmat> Number per atom= 81.04 +/- 18.47
Maximum number = 125
Minimum number = 11
Pdbmat> Matrix trace = 1.106506E+07
Pdbmat> Larger element = 507.204
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1677 non-zero elements, NRBL set to 9
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 = 2403121504002936075.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 9
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 2403121504002936075.atom to be opened.
Openam> file on opening on unit 11:
2403121504002936075.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 13653 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 9 residue(s) per block.
Blocpdb> 1677 residues.
Blocpdb> 68 atoms in block 1
Block first atom: 1
Blocpdb> 75 atoms in block 2
Block first atom: 69
Blocpdb> 72 atoms in block 3
Block first atom: 144
Blocpdb> 61 atoms in block 4
Block first atom: 216
Blocpdb> 64 atoms in block 5
Block first atom: 277
Blocpdb> 74 atoms in block 6
Block first atom: 341
Blocpdb> 87 atoms in block 7
Block first atom: 415
Blocpdb> 76 atoms in block 8
Block first atom: 502
Blocpdb> 73 atoms in block 9
Block first atom: 578
Blocpdb> 73 atoms in block 10
Block first atom: 651
Blocpdb> 82 atoms in block 11
Block first atom: 724
Blocpdb> 70 atoms in block 12
Block first atom: 806
Blocpdb> 71 atoms in block 13
Block first atom: 876
Blocpdb> 72 atoms in block 14
Block first atom: 947
Blocpdb> 66 atoms in block 15
Block first atom: 1019
Blocpdb> 78 atoms in block 16
Block first atom: 1085
Blocpdb> 75 atoms in block 17
Block first atom: 1163
Blocpdb> 84 atoms in block 18
Block first atom: 1238
Blocpdb> 62 atoms in block 19
Block first atom: 1322
Blocpdb> 75 atoms in block 20
Block first atom: 1384
Blocpdb> 73 atoms in block 21
Block first atom: 1459
Blocpdb> 66 atoms in block 22
Block first atom: 1532
Blocpdb> 78 atoms in block 23
Block first atom: 1598
Blocpdb> 79 atoms in block 24
Block first atom: 1676
Blocpdb> 73 atoms in block 25
Block first atom: 1755
Blocpdb> 75 atoms in block 26
Block first atom: 1828
Blocpdb> 71 atoms in block 27
Block first atom: 1903
Blocpdb> 64 atoms in block 28
Block first atom: 1974
Blocpdb> 70 atoms in block 29
Block first atom: 2038
Blocpdb> 74 atoms in block 30
Block first atom: 2108
Blocpdb> 77 atoms in block 31
Block first atom: 2182
Blocpdb> 73 atoms in block 32
Block first atom: 2259
Blocpdb> 70 atoms in block 33
Block first atom: 2332
Blocpdb> 80 atoms in block 34
Block first atom: 2402
Blocpdb> 73 atoms in block 35
Block first atom: 2482
Blocpdb> 79 atoms in block 36
Block first atom: 2555
Blocpdb> 92 atoms in block 37
Block first atom: 2634
Blocpdb> 7 atoms in block 38
Block first atom: 2726
Blocpdb> 74 atoms in block 39
Block first atom: 2733
Blocpdb> 75 atoms in block 40
Block first atom: 2807
Blocpdb> 70 atoms in block 41
Block first atom: 2882
Blocpdb> 73 atoms in block 42
Block first atom: 2952
Blocpdb> 66 atoms in block 43
Block first atom: 3025
Blocpdb> 78 atoms in block 44
Block first atom: 3091
Blocpdb> 86 atoms in block 45
Block first atom: 3169
Blocpdb> 76 atoms in block 46
Block first atom: 3255
Blocpdb> 73 atoms in block 47
Block first atom: 3331
Blocpdb> 71 atoms in block 48
Block first atom: 3404
Blocpdb> 75 atoms in block 49
Block first atom: 3475
Blocpdb> 70 atoms in block 50
Block first atom: 3550
Blocpdb> 70 atoms in block 51
Block first atom: 3620
Blocpdb> 76 atoms in block 52
Block first atom: 3690
Blocpdb> 73 atoms in block 53
Block first atom: 3766
Blocpdb> 68 atoms in block 54
Block first atom: 3839
Blocpdb> 74 atoms in block 55
Block first atom: 3907
Blocpdb> 81 atoms in block 56
Block first atom: 3981
Blocpdb> 70 atoms in block 57
Block first atom: 4062
Blocpdb> 66 atoms in block 58
Block first atom: 4132
Blocpdb> 72 atoms in block 59
Block first atom: 4198
Blocpdb> 61 atoms in block 60
Block first atom: 4270
Blocpdb> 71 atoms in block 61
Block first atom: 4331
Blocpdb> 82 atoms in block 62
Block first atom: 4402
Blocpdb> 75 atoms in block 63
Block first atom: 4484
Blocpdb> 68 atoms in block 64
Block first atom: 4559
Blocpdb> 80 atoms in block 65
Block first atom: 4627
Blocpdb> 66 atoms in block 66
Block first atom: 4707
Blocpdb> 65 atoms in block 67
Block first atom: 4773
Blocpdb> 68 atoms in block 68
Block first atom: 4838
Blocpdb> 71 atoms in block 69
Block first atom: 4906
Blocpdb> 72 atoms in block 70
Block first atom: 4977
Blocpdb> 70 atoms in block 71
Block first atom: 5049
Blocpdb> 76 atoms in block 72
Block first atom: 5119
Blocpdb> 70 atoms in block 73
Block first atom: 5195
Blocpdb> 75 atoms in block 74
Block first atom: 5265
Blocpdb> 77 atoms in block 75
Block first atom: 5340
Blocpdb> 46 atoms in block 76
Block first atom: 5417
Blocpdb> 68 atoms in block 77
Block first atom: 5463
Blocpdb> 75 atoms in block 78
Block first atom: 5531
Blocpdb> 72 atoms in block 79
Block first atom: 5606
Blocpdb> 61 atoms in block 80
Block first atom: 5678
Blocpdb> 64 atoms in block 81
Block first atom: 5739
Blocpdb> 74 atoms in block 82
Block first atom: 5803
Blocpdb> 87 atoms in block 83
Block first atom: 5877
Blocpdb> 76 atoms in block 84
Block first atom: 5964
Blocpdb> 73 atoms in block 85
Block first atom: 6040
Blocpdb> 73 atoms in block 86
Block first atom: 6113
Blocpdb> 82 atoms in block 87
Block first atom: 6186
Blocpdb> 70 atoms in block 88
Block first atom: 6268
Blocpdb> 71 atoms in block 89
Block first atom: 6338
Blocpdb> 72 atoms in block 90
Block first atom: 6409
Blocpdb> 66 atoms in block 91
Block first atom: 6481
Blocpdb> 78 atoms in block 92
Block first atom: 6547
Blocpdb> 75 atoms in block 93
Block first atom: 6625
Blocpdb> 84 atoms in block 94
Block first atom: 6700
Blocpdb> 62 atoms in block 95
Block first atom: 6784
Blocpdb> 75 atoms in block 96
Block first atom: 6846
Blocpdb> 73 atoms in block 97
Block first atom: 6921
Blocpdb> 66 atoms in block 98
Block first atom: 6994
Blocpdb> 78 atoms in block 99
Block first atom: 7060
Blocpdb> 79 atoms in block 100
Block first atom: 7138
Blocpdb> 73 atoms in block 101
Block first atom: 7217
Blocpdb> 75 atoms in block 102
Block first atom: 7290
Blocpdb> 71 atoms in block 103
Block first atom: 7365
Blocpdb> 64 atoms in block 104
Block first atom: 7436
Blocpdb> 70 atoms in block 105
Block first atom: 7500
Blocpdb> 74 atoms in block 106
Block first atom: 7570
Blocpdb> 77 atoms in block 107
Block first atom: 7644
Blocpdb> 73 atoms in block 108
Block first atom: 7721
Blocpdb> 70 atoms in block 109
Block first atom: 7794
Blocpdb> 80 atoms in block 110
Block first atom: 7864
Blocpdb> 73 atoms in block 111
Block first atom: 7944
Blocpdb> 79 atoms in block 112
Block first atom: 8017
Blocpdb> 92 atoms in block 113
Block first atom: 8096
Blocpdb> 7 atoms in block 114
Block first atom: 8188
Blocpdb> 74 atoms in block 115
Block first atom: 8195
Blocpdb> 75 atoms in block 116
Block first atom: 8269
Blocpdb> 70 atoms in block 117
Block first atom: 8344
Blocpdb> 73 atoms in block 118
Block first atom: 8414
Blocpdb> 66 atoms in block 119
Block first atom: 8487
Blocpdb> 78 atoms in block 120
Block first atom: 8553
Blocpdb> 86 atoms in block 121
Block first atom: 8631
Blocpdb> 76 atoms in block 122
Block first atom: 8717
Blocpdb> 73 atoms in block 123
Block first atom: 8793
Blocpdb> 71 atoms in block 124
Block first atom: 8866
Blocpdb> 75 atoms in block 125
Block first atom: 8937
Blocpdb> 70 atoms in block 126
Block first atom: 9012
Blocpdb> 70 atoms in block 127
Block first atom: 9082
Blocpdb> 76 atoms in block 128
Block first atom: 9152
Blocpdb> 73 atoms in block 129
Block first atom: 9228
Blocpdb> 68 atoms in block 130
Block first atom: 9301
Blocpdb> 74 atoms in block 131
Block first atom: 9369
Blocpdb> 81 atoms in block 132
Block first atom: 9443
Blocpdb> 70 atoms in block 133
Block first atom: 9524
Blocpdb> 66 atoms in block 134
Block first atom: 9594
Blocpdb> 72 atoms in block 135
Block first atom: 9660
Blocpdb> 61 atoms in block 136
Block first atom: 9732
Blocpdb> 71 atoms in block 137
Block first atom: 9793
Blocpdb> 82 atoms in block 138
Block first atom: 9864
Blocpdb> 75 atoms in block 139
Block first atom: 9946
Blocpdb> 68 atoms in block 140
Block first atom: 10021
Blocpdb> 80 atoms in block 141
Block first atom: 10089
Blocpdb> 66 atoms in block 142
Block first atom: 10169
Blocpdb> 65 atoms in block 143
Block first atom: 10235
Blocpdb> 68 atoms in block 144
Block first atom: 10300
Blocpdb> 71 atoms in block 145
Block first atom: 10368
Blocpdb> 72 atoms in block 146
Block first atom: 10439
Blocpdb> 70 atoms in block 147
Block first atom: 10511
Blocpdb> 76 atoms in block 148
Block first atom: 10581
Blocpdb> 70 atoms in block 149
Block first atom: 10657
Blocpdb> 75 atoms in block 150
Block first atom: 10727
Blocpdb> 77 atoms in block 151
Block first atom: 10802
Blocpdb> 46 atoms in block 152
Block first atom: 10879
Blocpdb> 65 atoms in block 153
Block first atom: 10925
Blocpdb> 74 atoms in block 154
Block first atom: 10990
Blocpdb> 68 atoms in block 155
Block first atom: 11064
Blocpdb> 76 atoms in block 156
Block first atom: 11132
Blocpdb> 61 atoms in block 157
Block first atom: 11208
Blocpdb> 82 atoms in block 158
Block first atom: 11269
Blocpdb> 85 atoms in block 159
Block first atom: 11351
Blocpdb> 73 atoms in block 160
Block first atom: 11436
Blocpdb> 69 atoms in block 161
Block first atom: 11509
Blocpdb> 85 atoms in block 162
Block first atom: 11578
Blocpdb> 74 atoms in block 163
Block first atom: 11663
Blocpdb> 75 atoms in block 164
Block first atom: 11737
Blocpdb> 80 atoms in block 165
Block first atom: 11812
Blocpdb> 71 atoms in block 166
Block first atom: 11892
Blocpdb> 76 atoms in block 167
Block first atom: 11963
Blocpdb> 71 atoms in block 168
Block first atom: 12039
Blocpdb> 78 atoms in block 169
Block first atom: 12110
Blocpdb> 85 atoms in block 170
Block first atom: 12188
Blocpdb> 65 atoms in block 171
Block first atom: 12273
Blocpdb> 89 atoms in block 172
Block first atom: 12338
Blocpdb> 68 atoms in block 173
Block first atom: 12427
Blocpdb> 67 atoms in block 174
Block first atom: 12495
Blocpdb> 77 atoms in block 175
Block first atom: 12562
Blocpdb> 77 atoms in block 176
Block first atom: 12639
Blocpdb> 70 atoms in block 177
Block first atom: 12716
Blocpdb> 82 atoms in block 178
Block first atom: 12786
Blocpdb> 65 atoms in block 179
Block first atom: 12868
Blocpdb> 64 atoms in block 180
Block first atom: 12933
Blocpdb> 68 atoms in block 181
Block first atom: 12997
Blocpdb> 69 atoms in block 182
Block first atom: 13065
Blocpdb> 66 atoms in block 183
Block first atom: 13134
Blocpdb> 74 atoms in block 184
Block first atom: 13200
Blocpdb> 80 atoms in block 185
Block first atom: 13274
Blocpdb> 63 atoms in block 186
Block first atom: 13354
Blocpdb> 80 atoms in block 187
Block first atom: 13417
Blocpdb> 71 atoms in block 188
Block first atom: 13497
Blocpdb> 86 atoms in block 189
Block first atom: 13567
Blocpdb> 189 blocks.
Blocpdb> At most, 92 atoms in each of them.
Blocpdb> At least, 7 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 5060514 matrix lines read.
Prepmat> Matrix order = 40959
Prepmat> Matrix trace = 11065060.0000
Prepmat> Last element read: 40959 40959 194.4823
Prepmat> 17956 lines saved.
Prepmat> 16372 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: 13653
RTB> Total mass = 13653.0000
RTB> Number of atoms found in matrix: 13653
RTB> Number of blocks = 189
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 182663.6042
RTB> 54153 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 = 1134
Diagstd> Nb of non-zero elements: 54153
Diagstd> Projected matrix trace = 182663.6042
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1134 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 182663.6042
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 1.2787570 2.1914023 2.3440750 2.6484765
2.8018006 3.8433192 4.0606579 4.1226690 4.4998170
4.5317071 4.9328042 5.1234187 5.7787695 6.3049444
6.5915924 7.1361442 7.6880614 7.7572003 7.8681595
8.0721712 8.1907083 8.3360742 8.6688537 8.8948367
9.5121181 9.5368948 9.8399050 10.2892965 10.4268876
10.7154130 11.1148608 11.2917529 11.3258889 11.8979807
12.4630499 12.7365958 13.1129398 13.2296170 14.3180137
14.3642583 14.8930311 15.1030988 15.4394847 15.6045245
16.4739931 16.6487821 16.7091846 17.4786383 17.6004713
17.8924549 18.5549190 18.8508023 19.0066183 19.5850456
19.9878323 20.2127678 20.7073239 20.9710807 21.3794545
21.6695827 22.1482266 22.4668386 22.8180659 23.4409978
24.0482358 24.1364438 24.7728256 25.3596353 25.4164377
25.6301430 25.7333844 26.2394680 26.2808147 26.6780610
27.3712703 27.4869537 28.1182885 28.4960913 29.0466803
29.5359393 29.7315870 30.3239315 30.8220619 31.0972613
31.5334043 31.9349465 32.2720589 32.4007072 32.8862638
33.2401053 33.6283116 33.9972406 34.4243149 34.7399986
35.1732328 35.2479498 35.6242019 35.9764389 36.2236009
36.6786590
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034332 0.0034335 0.0034336 0.0034340 0.0034343
0.0034354 122.7974330 160.7519823 166.2574184 176.7231090
181.7665187 212.8866880 218.8232588 220.4877750 230.3523806
231.1671918 241.1805156 245.7962225 261.0435500 272.6690914
278.7985136 290.0862140 301.0951096 302.4459577 304.6013732
308.5250727 310.7821095 313.5278075 319.7246469 323.8651892
334.9144586 335.3503603 340.6361477 348.3277878 350.6490177
355.4673665 362.0322793 364.9017638 365.4529135 374.5690673
383.3605746 387.5448448 393.2287971 394.9743704 410.9004968
411.5635295 419.0702468 422.0154116 426.6892298 428.9637077
440.7524342 443.0844559 443.8874933 453.9929175 455.5724245
459.3357485 467.7618643 471.4766615 473.4212056 480.5710151
485.4875856 488.2116890 494.1482582 497.2853739 502.1038953
505.4992951 511.0516084 514.7143336 518.7220333 525.7548975
532.5211863 533.4969261 540.4842626 546.8481936 547.4602866
549.7570342 550.8631658 556.2535467 556.6916314 560.8831733
568.1235044 569.3228122 575.8239461 579.6794798 585.2528433
590.1612275 592.1126315 597.9818935 602.8734029 605.5588450
609.7905780 613.6607931 616.8912600 618.1196141 622.7339574
626.0751640 629.7204712 633.1653131 637.1298219 640.0445127
644.0230677 644.7067402 648.1385481 651.3349263 653.5684668
657.6608730
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 13653
Rtb_to_modes> Number of blocs = 189
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: 9.9957E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9971E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9981E-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: 1.0009E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.279
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.191
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.344
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.648
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.802
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.843
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 4.061
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 4.123
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 4.500
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.532
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 4.933
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 5.123
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 5.779
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 6.305
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 6.592
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 7.136
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 7.688
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 7.757
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 7.868
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 8.072
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 8.191
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 8.336
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 8.669
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 8.895
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 9.512
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 9.537
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 9.840
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 10.29
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 10.43
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 10.72
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 11.11
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 11.29
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 11.33
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 11.90
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 12.46
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 12.74
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 13.11
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 13.23
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 14.32
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 14.36
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 14.89
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 15.10
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 15.44
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 15.60
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 16.47
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 16.65
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 16.71
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 17.48
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 17.60
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 17.89
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 18.55
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 18.85
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 19.01
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 19.59
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 19.99
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 20.21
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 20.71
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 20.97
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 21.38
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 21.67
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 22.15
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 22.47
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 22.82
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 23.44
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 24.05
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 24.14
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 24.77
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 25.36
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 25.42
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 25.63
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 25.73
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 26.24
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 26.28
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 26.68
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 27.37
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 27.49
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 28.12
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 28.50
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 29.05
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 29.54
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 29.73
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 30.32
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 30.82
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 31.10
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 31.53
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 31.93
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 32.27
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 32.40
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 32.89
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 33.24
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 33.63
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 34.00
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 34.42
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 34.74
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 35.17
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 35.25
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 35.62
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 35.98
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 36.22
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 36.68
Rtb_to_modes> 106 vectors, with 1134 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99998 1.00000 1.00000 1.00000
1.00000 1.00000 1.00001 1.00002 1.00003
0.99998 1.00000 0.99999 0.99999 1.00000
1.00001 1.00000 1.00000 1.00001 0.99996
0.99998 0.99998 1.00000 1.00001 0.99996
0.99999 1.00002 0.99996 1.00000 1.00002
1.00002 0.99998 1.00000 1.00001 0.99998
1.00000 1.00002 0.99997 1.00000 0.99999
0.99998 0.99999 1.00001 0.99999 1.00000
0.99999 0.99999 1.00000 0.99999 1.00001
1.00002 1.00000 1.00002 1.00001 0.99999
0.99999 1.00000 1.00002 1.00000 1.00000
1.00002 1.00001 0.99999 1.00000 1.00000
1.00000 0.99999 0.99999 0.99999 0.99999
1.00000 1.00000 1.00000 0.99999 1.00000
1.00000 1.00001 0.99999 0.99999 0.99999
1.00003 1.00000 0.99999 1.00000 0.99998
1.00000 0.99999 0.99999 0.99998 1.00001
1.00002 0.99999 1.00001 1.00000 1.00000
1.00000 0.99998 0.99999 1.00002 1.00001
1.00002 1.00002 0.99999 1.00000 0.99999
0.99997
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 245754 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99998 1.00000 1.00000 1.00000
1.00000 1.00000 1.00001 1.00002 1.00003
0.99998 1.00000 0.99999 0.99999 1.00000
1.00001 1.00000 1.00000 1.00001 0.99996
0.99998 0.99998 1.00000 1.00001 0.99996
0.99999 1.00002 0.99996 1.00000 1.00002
1.00002 0.99998 1.00000 1.00001 0.99998
1.00000 1.00002 0.99997 1.00000 0.99999
0.99998 0.99999 1.00001 0.99999 1.00000
0.99999 0.99999 1.00000 0.99999 1.00001
1.00002 1.00000 1.00002 1.00001 0.99999
0.99999 1.00000 1.00002 1.00000 1.00000
1.00002 1.00001 0.99999 1.00000 1.00000
1.00000 0.99999 0.99999 0.99999 0.99999
1.00000 1.00000 1.00000 0.99999 1.00000
1.00000 1.00001 0.99999 0.99999 0.99999
1.00003 1.00000 0.99999 1.00000 0.99998
1.00000 0.99999 0.99999 0.99998 1.00001
1.00002 0.99999 1.00001 1.00000 1.00000
1.00000 0.99998 0.99999 1.00002 1.00001
1.00002 1.00002 0.99999 1.00000 0.99999
0.99997
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> 2403121504002936075.eigenfacs
Openam> file on opening on unit 10:
2403121504002936075.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403121504002936075.atom
Openam> file on opening on unit 11:
2403121504002936075.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 = 1677
First residue number = 7
Last residue number = 357
Number of atoms found = 13653
Mean number per residue = 8.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9957E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9971E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9981E-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: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.279
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.191
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.344
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.648
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.802
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.843
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 4.061
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 4.123
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 4.500
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.532
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 4.933
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 5.123
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 5.779
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 6.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 6.592
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 7.136
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 7.688
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 7.757
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 7.868
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 8.072
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 8.191
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 8.336
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 8.669
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 8.895
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 9.512
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 9.537
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 9.840
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 10.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 10.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 10.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 11.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 11.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 11.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 11.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 12.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 12.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 13.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 13.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 14.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 14.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 14.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 15.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 15.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 15.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 16.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 16.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 16.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 17.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 17.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 18.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 18.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 19.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 19.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 19.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 20.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 20.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 20.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 21.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 21.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 22.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 22.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 22.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 23.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 24.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 24.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 24.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 25.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 25.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 25.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 25.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 26.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 26.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 26.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 27.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 27.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 28.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 28.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 29.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 29.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 29.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 30.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 30.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 31.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 31.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 31.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 32.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 32.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 32.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 33.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 33.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 34.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 34.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 34.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 35.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 35.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 35.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 35.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 36.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 36.68
Bfactors> 106 vectors, 40959 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 : 1.279000
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= 0.460 for 1677 C-alpha atoms.
Bfactors> = 0.010 +/- 0.01
Bfactors> = 23.473 +/- 13.90
Bfactors> Shiftng-fct= 23.462
Bfactors> Scaling-fct= 1708.579
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403121504002936075 7 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.7.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.7.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.7.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2403121504002936075 8 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.8.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.8.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.8.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2403121504002936075 9 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.9.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.9.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.9.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2403121504002936075 10 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.10.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.10.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.10.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2403121504002936075 11 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.11.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.11.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.11.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 2403121504002936075 12 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.12.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.12.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.12.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2403121504002936075 13 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.13.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.13.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.13.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2403121504002936075 14 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.14.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.14.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.14.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2403121504002936075 15 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.15.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.15.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.15.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2403121504002936075 16 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.16.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.16.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.16.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 17
running: ../../bin/get_modes.sh 2403121504002936075 17 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.17.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.17.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.17.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 18
running: ../../bin/get_modes.sh 2403121504002936075 18 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.18.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.18.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.18.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 19
running: ../../bin/get_modes.sh 2403121504002936075 19 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.19.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.19.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.19.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 20
running: ../../bin/get_modes.sh 2403121504002936075 20 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.20.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.20.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.20.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 21
running: ../../bin/get_modes.sh 2403121504002936075 21 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.21.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.21.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.21.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 22
running: ../../bin/get_modes.sh 2403121504002936075 22 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.22.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.22.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.22.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 23
running: ../../bin/get_modes.sh 2403121504002936075 23 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.23.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.23.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.23.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 24
running: ../../bin/get_modes.sh 2403121504002936075 24 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.24.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.24.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.24.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 25
running: ../../bin/get_modes.sh 2403121504002936075 25 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.25.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.25.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.25.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 26
running: ../../bin/get_modes.sh 2403121504002936075 26 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.26.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.26.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.26.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 27
running: ../../bin/get_modes.sh 2403121504002936075 27 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.27.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.27.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.27.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 28
running: ../../bin/get_modes.sh 2403121504002936075 28 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.28.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.28.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.28.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 29
running: ../../bin/get_modes.sh 2403121504002936075 29 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.29.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.29.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.29.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 30
running: ../../bin/get_modes.sh 2403121504002936075 30 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.30.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.30.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.30.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 31
running: ../../bin/get_modes.sh 2403121504002936075 31 -150 150 25 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-150
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=-25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=0
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=25
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=50
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=75
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=100
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=125
2403121504002936075.eigenfacs
2403121504002936075.atom
calculating perturbed structure for DQ=150
2403121504002936075.eigenfacs
2403121504002936075.atom
making animated gifs
13 models are in 2403121504002936075.31.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.31.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
13 models are in 2403121504002936075.31.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
MODEL 13 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2403121504002936075.10.pdb
2403121504002936075.11.pdb
2403121504002936075.12.pdb
2403121504002936075.13.pdb
2403121504002936075.14.pdb
2403121504002936075.15.pdb
2403121504002936075.16.pdb
2403121504002936075.17.pdb
2403121504002936075.18.pdb
2403121504002936075.19.pdb
2403121504002936075.20.pdb
2403121504002936075.21.pdb
2403121504002936075.22.pdb
2403121504002936075.23.pdb
2403121504002936075.24.pdb
2403121504002936075.25.pdb
2403121504002936075.26.pdb
2403121504002936075.27.pdb
2403121504002936075.28.pdb
2403121504002936075.29.pdb
2403121504002936075.30.pdb
2403121504002936075.31.pdb
2403121504002936075.7.pdb
2403121504002936075.8.pdb
2403121504002936075.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 1m21.688s
user 1m21.404s
sys 0m0.228s
../../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: 2403121504002936075.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
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.
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