*** ***
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 = 2402161841143095361.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 2402161841143095361.atom to be opened.
Openam> File opened: 2402161841143095361.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 = 1134
First residue number = 8
Last residue number = 575
Number of atoms found = 8642
Mean number per residue = 7.6
Pdbmat> Coordinate statistics:
= -3.578907 +/- 17.155356 From: -49.331000 To: 37.083000
= -24.609886 +/- 15.286423 From: -58.856000 To: 24.993000
= 21.540727 +/- 20.516995 From: -22.846000 To: 69.399000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 1.0709 % Filled.
Pdbmat> 3599121 non-zero elements.
Pdbmat> 394206 atom-atom interactions.
Pdbmat> Number per atom= 91.23 +/- 21.31
Maximum number = 135
Minimum number = 14
Pdbmat> Matrix trace = 7.884120E+06
Pdbmat> Larger element = 514.466
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1134 non-zero elements, NRBL set to 6
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 = 2402161841143095361.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 6
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 2402161841143095361.atom to be opened.
Openam> file on opening on unit 11:
2402161841143095361.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 8642 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 6 residue(s) per block.
Blocpdb> 1134 residues.
Blocpdb> 49 atoms in block 1
Block first atom: 1
Blocpdb> 56 atoms in block 2
Block first atom: 50
Blocpdb> 54 atoms in block 3
Block first atom: 106
Blocpdb> 56 atoms in block 4
Block first atom: 160
Blocpdb> 48 atoms in block 5
Block first atom: 216
Blocpdb> 50 atoms in block 6
Block first atom: 264
Blocpdb> 41 atoms in block 7
Block first atom: 314
Blocpdb> 48 atoms in block 8
Block first atom: 355
Blocpdb> 48 atoms in block 9
Block first atom: 403
Blocpdb> 49 atoms in block 10
Block first atom: 451
Blocpdb> 49 atoms in block 11
Block first atom: 500
Blocpdb> 41 atoms in block 12
Block first atom: 549
Blocpdb> 50 atoms in block 13
Block first atom: 590
Blocpdb> 42 atoms in block 14
Block first atom: 640
Blocpdb> 46 atoms in block 15
Block first atom: 682
Blocpdb> 51 atoms in block 16
Block first atom: 728
Blocpdb> 47 atoms in block 17
Block first atom: 779
Blocpdb> 44 atoms in block 18
Block first atom: 826
Blocpdb> 42 atoms in block 19
Block first atom: 870
Blocpdb> 34 atoms in block 20
Block first atom: 912
Blocpdb> 43 atoms in block 21
Block first atom: 946
Blocpdb> 34 atoms in block 22
Block first atom: 989
Blocpdb> 42 atoms in block 23
Block first atom: 1023
Blocpdb> 36 atoms in block 24
Block first atom: 1065
Blocpdb> 55 atoms in block 25
Block first atom: 1101
Blocpdb> 42 atoms in block 26
Block first atom: 1156
Blocpdb> 49 atoms in block 27
Block first atom: 1198
Blocpdb> 50 atoms in block 28
Block first atom: 1247
Blocpdb> 41 atoms in block 29
Block first atom: 1297
Blocpdb> 54 atoms in block 30
Block first atom: 1338
Blocpdb> 50 atoms in block 31
Block first atom: 1392
Blocpdb> 44 atoms in block 32
Block first atom: 1442
Blocpdb> 37 atoms in block 33
Block first atom: 1486
Blocpdb> 41 atoms in block 34
Block first atom: 1523
Blocpdb> 40 atoms in block 35
Block first atom: 1564
Blocpdb> 37 atoms in block 36
Block first atom: 1604
Blocpdb> 40 atoms in block 37
Block first atom: 1641
Blocpdb> 51 atoms in block 38
Block first atom: 1681
Blocpdb> 48 atoms in block 39
Block first atom: 1732
Blocpdb> 48 atoms in block 40
Block first atom: 1780
Blocpdb> 45 atoms in block 41
Block first atom: 1828
Blocpdb> 52 atoms in block 42
Block first atom: 1873
Blocpdb> 46 atoms in block 43
Block first atom: 1925
Blocpdb> 44 atoms in block 44
Block first atom: 1971
Blocpdb> 34 atoms in block 45
Block first atom: 2015
Blocpdb> 46 atoms in block 46
Block first atom: 2049
Blocpdb> 40 atoms in block 47
Block first atom: 2095
Blocpdb> 43 atoms in block 48
Block first atom: 2135
Blocpdb> 47 atoms in block 49
Block first atom: 2178
Blocpdb> 44 atoms in block 50
Block first atom: 2225
Blocpdb> 45 atoms in block 51
Block first atom: 2269
Blocpdb> 46 atoms in block 52
Block first atom: 2314
Blocpdb> 52 atoms in block 53
Block first atom: 2360
Blocpdb> 38 atoms in block 54
Block first atom: 2412
Blocpdb> 47 atoms in block 55
Block first atom: 2450
Blocpdb> 45 atoms in block 56
Block first atom: 2497
Blocpdb> 42 atoms in block 57
Block first atom: 2542
Blocpdb> 53 atoms in block 58
Block first atom: 2584
Blocpdb> 50 atoms in block 59
Block first atom: 2637
Blocpdb> 50 atoms in block 60
Block first atom: 2687
Blocpdb> 55 atoms in block 61
Block first atom: 2737
Blocpdb> 38 atoms in block 62
Block first atom: 2792
Blocpdb> 46 atoms in block 63
Block first atom: 2830
Blocpdb> 37 atoms in block 64
Block first atom: 2876
Blocpdb> 40 atoms in block 65
Block first atom: 2913
Blocpdb> 44 atoms in block 66
Block first atom: 2953
Blocpdb> 46 atoms in block 67
Block first atom: 2997
Blocpdb> 50 atoms in block 68
Block first atom: 3043
Blocpdb> 56 atoms in block 69
Block first atom: 3093
Blocpdb> 49 atoms in block 70
Block first atom: 3149
Blocpdb> 45 atoms in block 71
Block first atom: 3198
Blocpdb> 46 atoms in block 72
Block first atom: 3243
Blocpdb> 45 atoms in block 73
Block first atom: 3289
Blocpdb> 35 atoms in block 74
Block first atom: 3334
Blocpdb> 45 atoms in block 75
Block first atom: 3369
Blocpdb> 49 atoms in block 76
Block first atom: 3414
Blocpdb> 49 atoms in block 77
Block first atom: 3463
Blocpdb> 45 atoms in block 78
Block first atom: 3512
Blocpdb> 38 atoms in block 79
Block first atom: 3557
Blocpdb> 46 atoms in block 80
Block first atom: 3595
Blocpdb> 36 atoms in block 81
Block first atom: 3641
Blocpdb> 36 atoms in block 82
Block first atom: 3677
Blocpdb> 44 atoms in block 83
Block first atom: 3713
Blocpdb> 45 atoms in block 84
Block first atom: 3757
Blocpdb> 51 atoms in block 85
Block first atom: 3802
Blocpdb> 49 atoms in block 86
Block first atom: 3853
Blocpdb> 55 atoms in block 87
Block first atom: 3902
Blocpdb> 47 atoms in block 88
Block first atom: 3957
Blocpdb> 40 atoms in block 89
Block first atom: 4004
Blocpdb> 57 atoms in block 90
Block first atom: 4044
Blocpdb> 49 atoms in block 91
Block first atom: 4101
Blocpdb> 41 atoms in block 92
Block first atom: 4150
Blocpdb> 51 atoms in block 93
Block first atom: 4191
Blocpdb> 34 atoms in block 94
Block first atom: 4242
Blocpdb> 35 atoms in block 95
Block first atom: 4276
Blocpdb> 49 atoms in block 96
Block first atom: 4311
Blocpdb> 56 atoms in block 97
Block first atom: 4360
Blocpdb> 54 atoms in block 98
Block first atom: 4416
Blocpdb> 56 atoms in block 99
Block first atom: 4470
Blocpdb> 48 atoms in block 100
Block first atom: 4526
Blocpdb> 50 atoms in block 101
Block first atom: 4574
Blocpdb> 41 atoms in block 102
Block first atom: 4624
Blocpdb> 48 atoms in block 103
Block first atom: 4665
Blocpdb> 48 atoms in block 104
Block first atom: 4713
Blocpdb> 69 atoms in block 105
Block first atom: 4761
Blocpdb> 49 atoms in block 106
Block first atom: 4830
Blocpdb> 41 atoms in block 107
Block first atom: 4879
Blocpdb> 50 atoms in block 108
Block first atom: 4920
Blocpdb> 42 atoms in block 109
Block first atom: 4970
Blocpdb> 46 atoms in block 110
Block first atom: 5012
Blocpdb> 51 atoms in block 111
Block first atom: 5058
Blocpdb> 47 atoms in block 112
Block first atom: 5109
Blocpdb> 44 atoms in block 113
Block first atom: 5156
Blocpdb> 42 atoms in block 114
Block first atom: 5200
Blocpdb> 34 atoms in block 115
Block first atom: 5242
Blocpdb> 43 atoms in block 116
Block first atom: 5276
Blocpdb> 34 atoms in block 117
Block first atom: 5319
Blocpdb> 42 atoms in block 118
Block first atom: 5353
Blocpdb> 36 atoms in block 119
Block first atom: 5395
Blocpdb> 49 atoms in block 120
Block first atom: 5431
Blocpdb> 42 atoms in block 121
Block first atom: 5480
Blocpdb> 49 atoms in block 122
Block first atom: 5522
Blocpdb> 50 atoms in block 123
Block first atom: 5571
Blocpdb> 41 atoms in block 124
Block first atom: 5621
Blocpdb> 54 atoms in block 125
Block first atom: 5662
Blocpdb> 50 atoms in block 126
Block first atom: 5716
Blocpdb> 44 atoms in block 127
Block first atom: 5766
Blocpdb> 37 atoms in block 128
Block first atom: 5810
Blocpdb> 41 atoms in block 129
Block first atom: 5847
Blocpdb> 40 atoms in block 130
Block first atom: 5888
Blocpdb> 37 atoms in block 131
Block first atom: 5928
Blocpdb> 40 atoms in block 132
Block first atom: 5965
Blocpdb> 51 atoms in block 133
Block first atom: 6005
Blocpdb> 48 atoms in block 134
Block first atom: 6056
Blocpdb> 48 atoms in block 135
Block first atom: 6104
Blocpdb> 45 atoms in block 136
Block first atom: 6152
Blocpdb> 52 atoms in block 137
Block first atom: 6197
Blocpdb> 46 atoms in block 138
Block first atom: 6249
Blocpdb> 44 atoms in block 139
Block first atom: 6295
Blocpdb> 34 atoms in block 140
Block first atom: 6339
Blocpdb> 46 atoms in block 141
Block first atom: 6373
Blocpdb> 40 atoms in block 142
Block first atom: 6419
Blocpdb> 43 atoms in block 143
Block first atom: 6459
Blocpdb> 47 atoms in block 144
Block first atom: 6502
Blocpdb> 48 atoms in block 145
Block first atom: 6549
Blocpdb> 45 atoms in block 146
Block first atom: 6597
Blocpdb> 46 atoms in block 147
Block first atom: 6642
Blocpdb> 52 atoms in block 148
Block first atom: 6688
Blocpdb> 38 atoms in block 149
Block first atom: 6740
Blocpdb> 47 atoms in block 150
Block first atom: 6778
Blocpdb> 45 atoms in block 151
Block first atom: 6825
Blocpdb> 42 atoms in block 152
Block first atom: 6870
Blocpdb> 53 atoms in block 153
Block first atom: 6912
Blocpdb> 50 atoms in block 154
Block first atom: 6965
Blocpdb> 50 atoms in block 155
Block first atom: 7015
Blocpdb> 55 atoms in block 156
Block first atom: 7065
Blocpdb> 38 atoms in block 157
Block first atom: 7120
Blocpdb> 54 atoms in block 158
Block first atom: 7158
Blocpdb> 37 atoms in block 159
Block first atom: 7212
Blocpdb> 40 atoms in block 160
Block first atom: 7249
Blocpdb> 44 atoms in block 161
Block first atom: 7289
Blocpdb> 46 atoms in block 162
Block first atom: 7333
Blocpdb> 50 atoms in block 163
Block first atom: 7379
Blocpdb> 56 atoms in block 164
Block first atom: 7429
Blocpdb> 49 atoms in block 165
Block first atom: 7485
Blocpdb> 45 atoms in block 166
Block first atom: 7534
Blocpdb> 46 atoms in block 167
Block first atom: 7579
Blocpdb> 45 atoms in block 168
Block first atom: 7625
Blocpdb> 35 atoms in block 169
Block first atom: 7670
Blocpdb> 45 atoms in block 170
Block first atom: 7705
Blocpdb> 49 atoms in block 171
Block first atom: 7750
Blocpdb> 49 atoms in block 172
Block first atom: 7799
Blocpdb> 45 atoms in block 173
Block first atom: 7848
Blocpdb> 38 atoms in block 174
Block first atom: 7893
Blocpdb> 46 atoms in block 175
Block first atom: 7931
Blocpdb> 36 atoms in block 176
Block first atom: 7977
Blocpdb> 36 atoms in block 177
Block first atom: 8013
Blocpdb> 44 atoms in block 178
Block first atom: 8049
Blocpdb> 45 atoms in block 179
Block first atom: 8093
Blocpdb> 51 atoms in block 180
Block first atom: 8138
Blocpdb> 49 atoms in block 181
Block first atom: 8189
Blocpdb> 55 atoms in block 182
Block first atom: 8238
Blocpdb> 43 atoms in block 183
Block first atom: 8293
Blocpdb> 40 atoms in block 184
Block first atom: 8336
Blocpdb> 57 atoms in block 185
Block first atom: 8376
Blocpdb> 49 atoms in block 186
Block first atom: 8433
Blocpdb> 41 atoms in block 187
Block first atom: 8482
Blocpdb> 51 atoms in block 188
Block first atom: 8523
Blocpdb> 34 atoms in block 189
Block first atom: 8574
Blocpdb> 35 atoms in block 190
Block first atom: 8607
Blocpdb> 190 blocks.
Blocpdb> At most, 69 atoms in each of them.
Blocpdb> At least, 34 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> 3599311 matrix lines read.
Prepmat> Matrix order = 25926
Prepmat> Matrix trace = 7884120.0000
Prepmat> Last element read: 25926 25926 330.6523
Prepmat> 18146 lines saved.
Prepmat> 16163 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: 8642
RTB> Total mass = 8642.0000
RTB> Number of atoms found in matrix: 8642
RTB> Number of blocks = 190
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 249620.5004
RTB> 68502 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 = 1140
Diagstd> Nb of non-zero elements: 68502
Diagstd> Projected matrix trace = 249620.5004
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1140 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 249620.5004
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 1.5851961 2.0695047 2.5639496 4.6153820
5.3878487 5.7479311 6.6276333 7.7419483 8.2038532
8.8130450 9.1083874 10.0032241 11.8812856 12.1648602
12.2488697 13.2526428 14.6548118 14.9079075 15.0194149
16.0444324 16.5391625 17.2528397 17.3492703 18.6035817
18.7136396 19.1150768 19.7363183 20.4228063 21.2511007
21.5021380 22.6467507 22.8271123 23.2836323 23.6673647
25.1517853 25.6861175 27.0807416 27.3471549 28.1821655
28.6916806 29.3726143 30.5845430 31.3145211 32.3385386
32.6867627 32.9481957 33.3513745 33.8204595 35.1149814
35.2012942 35.9975902 36.3803966 36.8482866 37.1190664
37.8371520 38.3227189 38.8146532 40.0495336 40.2052623
41.1734753 41.5809567 41.9108922 42.3980366 42.9288219
43.2291871 43.7567470 43.8820287 44.7362369 45.2545203
45.6217830 46.5601198 47.1269566 47.4904403 47.9103797
48.0912185 48.8336930 49.3798088 49.4715453 49.9099645
50.5052634 51.6119533 51.7321405 52.7263973 52.8861795
53.5399968 53.8684341 54.1382456 54.8161339 55.7448071
56.2484485 56.9061611 56.9553801 57.6222596 58.0790010
58.5154558 58.9844515 59.2244067 59.7914750 60.4956978
61.2621041
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034331 0.0034334 0.0034335 0.0034340 0.0034344
0.0034353 136.7214884 156.2170722 173.8801578 233.2916032
252.0594463 260.3460896 279.5596676 302.1484797 311.0313899
322.3727125 327.7298719 343.4513906 374.3061808 378.7466865
380.0522322 395.3179434 415.7051484 419.2794964 420.8446279
434.9681522 441.6233598 451.0509210 452.3096844 468.3748465
469.7582439 474.7700388 482.4233835 490.7417296 500.5944087
503.5424659 516.7711144 518.8248484 523.9871612 528.2873743
544.6025730 550.3570226 565.1003251 567.8731770 576.4776315
581.6654576 588.5272568 600.5459990 607.6705189 617.5263236
620.8422088 623.3200527 627.1221627 631.5169802 643.4895547
644.2799196 651.5263649 654.9814414 659.1798596 661.5974197
667.9662199 672.2385861 676.5394643 687.2171859 688.5519783
696.7934237 700.2329116 703.0055170 707.0793487 711.4915808
713.9763308 718.3197277 719.3473185 726.3149862 730.5101648
733.4683996 740.9729002 745.4696684 748.3389985 751.6403510
753.0575566 758.8484732 763.0798441 763.7883302 767.1652293
771.7268319 780.1361953 781.0440071 788.5138557 789.7077089
794.5741840 797.0075878 799.0010853 803.9878421 810.7696605
814.4239827 819.1716710 819.5258510 824.3097232 827.5702104
830.6739214 833.9961635 835.6908355 839.6821362 844.6125409
849.9458052
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 8642
Rtb_to_modes> Number of blocs = 190
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: 9.9948E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9970E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9971E-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: 1.0008E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.585
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.070
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.564
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.615
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.388
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 5.748
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 6.628
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 7.742
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 8.204
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 8.813
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 9.108
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 10.00
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 11.88
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 12.16
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 12.25
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 13.25
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 14.65
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 14.91
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 15.02
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 16.04
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 16.54
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 17.25
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 17.35
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 18.60
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 18.71
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 19.12
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 19.74
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 20.42
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 21.25
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 21.50
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 22.65
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 22.83
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 23.28
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 23.67
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 25.15
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 25.69
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 27.08
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 27.35
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 28.18
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 28.69
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 29.37
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 30.58
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 31.31
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 32.34
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 32.69
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 32.95
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 33.35
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 33.82
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 35.11
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 35.20
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 36.00
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 36.38
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 36.85
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 37.12
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 37.84
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 38.32
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 38.81
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 40.05
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 40.21
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 41.17
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 41.58
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 41.91
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 42.40
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 42.93
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 43.23
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 43.76
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 43.88
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 44.74
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 45.25
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 45.62
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 46.56
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 47.13
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 47.49
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 47.91
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 48.09
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 48.83
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 49.38
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 49.47
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 49.91
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 50.51
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 51.61
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 51.73
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 52.73
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 52.89
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 53.54
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 53.87
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 54.14
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 54.82
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 55.74
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 56.25
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 56.91
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 56.96
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 57.62
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 58.08
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 58.52
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 58.98
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 59.22
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 59.79
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 60.50
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 61.26
Rtb_to_modes> 106 vectors, with 1140 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 0.99999 1.00000 0.99998 1.00000
1.00000 0.99999 1.00001 0.99997 1.00000
1.00001 1.00003 0.99999 1.00001 0.99998
0.99999 1.00000 0.99997 1.00002 1.00000
0.99998 1.00002 1.00000 0.99999 1.00002
1.00001 1.00001 1.00001 0.99997 1.00000
1.00000 1.00001 0.99999 0.99999 1.00001
1.00002 1.00000 1.00001 0.99998 1.00003
1.00000 1.00000 0.99998 1.00001 1.00000
1.00000 1.00000 1.00001 0.99998 1.00000
1.00001 0.99999 1.00000 1.00000 1.00000
0.99999 1.00001 1.00000 1.00000 1.00002
1.00001 1.00000 1.00000 1.00002 0.99999
1.00001 1.00000 1.00002 1.00001 0.99998
1.00000 1.00000 1.00001 1.00000 0.99998
1.00001 0.99998 1.00000 0.99998 1.00001
0.99999 1.00000 1.00000 1.00000 1.00000
0.99998 1.00000 1.00000 1.00001 1.00000
0.99999 1.00000 1.00001 0.99999 0.99999
1.00001 1.00000 1.00001 1.00000 1.00002
0.99999 1.00000 0.99999 1.00000 1.00000
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 155556 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 0.99999 1.00000 0.99998 1.00000
1.00000 0.99999 1.00001 0.99997 1.00000
1.00001 1.00003 0.99999 1.00001 0.99998
0.99999 1.00000 0.99997 1.00002 1.00000
0.99998 1.00002 1.00000 0.99999 1.00002
1.00001 1.00001 1.00001 0.99997 1.00000
1.00000 1.00001 0.99999 0.99999 1.00001
1.00002 1.00000 1.00001 0.99998 1.00003
1.00000 1.00000 0.99998 1.00001 1.00000
1.00000 1.00000 1.00001 0.99998 1.00000
1.00001 0.99999 1.00000 1.00000 1.00000
0.99999 1.00001 1.00000 1.00000 1.00002
1.00001 1.00000 1.00000 1.00002 0.99999
1.00001 1.00000 1.00002 1.00001 0.99998
1.00000 1.00000 1.00001 1.00000 0.99998
1.00001 0.99998 1.00000 0.99998 1.00001
0.99999 1.00000 1.00000 1.00000 1.00000
0.99998 1.00000 1.00000 1.00001 1.00000
0.99999 1.00000 1.00001 0.99999 0.99999
1.00001 1.00000 1.00001 1.00000 1.00002
0.99999 1.00000 0.99999 1.00000 1.00000
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000-0.000
Vector 4:-0.000-0.000-0.000
Vector 5:-0.000-0.000 0.000 0.000
Vector 6: 0.000 0.000 0.000-0.000 0.000
Vector 7:-0.000-0.000-0.000-0.000 0.000 0.000
Vector 8:-0.000 0.000-0.000-0.000 0.000 0.000 0.000
Vector 9: 0.000-0.000 0.000 0.000 0.000-0.000 0.000-0.000
Vector 10: 0.000-0.000-0.000-0.000-0.000 0.000 0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402161841143095361.eigenfacs
Openam> file on opening on unit 10:
2402161841143095361.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402161841143095361.atom
Openam> file on opening on unit 11:
2402161841143095361.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 = 1134
First residue number = 8
Last residue number = 575
Number of atoms found = 8642
Mean number per residue = 7.6
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9948E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9970E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9971E-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: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.585
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.564
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.615
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.388
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 5.748
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 6.628
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 7.742
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 8.204
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 8.813
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 9.108
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 10.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 11.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 12.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 12.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 13.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 14.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 14.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 15.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 16.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 16.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 17.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 17.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 18.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 18.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 19.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 19.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 20.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 21.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 21.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 22.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 22.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 23.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 23.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 25.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 25.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 27.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 27.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 28.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 28.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 29.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 30.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 31.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 32.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 32.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 32.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 33.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 33.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 35.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 35.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 36.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 36.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 36.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 37.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 37.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 38.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 38.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 40.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 40.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 41.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 41.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 41.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 42.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 42.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 43.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 43.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 43.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 44.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 45.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 45.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 46.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 47.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 47.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 47.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 48.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 48.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 49.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 49.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 49.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 50.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 51.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 51.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 52.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 52.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 53.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 53.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 54.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 54.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 55.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 56.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 56.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 56.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 57.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 58.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 58.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 58.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 59.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 59.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 60.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 61.26
Bfactors> 106 vectors, 25926 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 : 1.585000
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= 0.619 for 1138 C-alpha atoms.
Bfactors> = 0.010 +/- 0.01
Bfactors> = 49.821 +/- 10.52
Bfactors> Shiftng-fct= 49.812
Bfactors> Scaling-fct= 1141.760
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402161841143095361 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-80
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-60
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-40
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-20
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=0
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=20
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=40
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=60
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=80
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=100
2402161841143095361.eigenfacs
2402161841143095361.atom
making animated gifs
11 models are in 2402161841143095361.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161841143095361.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161841143095361.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2402161841143095361 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-80
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-60
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-40
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-20
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=0
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=20
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=40
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=60
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=80
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=100
2402161841143095361.eigenfacs
2402161841143095361.atom
making animated gifs
11 models are in 2402161841143095361.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161841143095361.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161841143095361.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2402161841143095361 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-80
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-60
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-40
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-20
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=0
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=20
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=40
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=60
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=80
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=100
2402161841143095361.eigenfacs
2402161841143095361.atom
making animated gifs
11 models are in 2402161841143095361.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161841143095361.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161841143095361.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2402161841143095361 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-80
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-60
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-40
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-20
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=0
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=20
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=40
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=60
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=80
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=100
2402161841143095361.eigenfacs
2402161841143095361.atom
making animated gifs
11 models are in 2402161841143095361.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161841143095361.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161841143095361.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2402161841143095361 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-80
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-60
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-40
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=-20
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=0
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=20
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=40
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=60
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=80
2402161841143095361.eigenfacs
2402161841143095361.atom
calculating perturbed structure for DQ=100
2402161841143095361.eigenfacs
2402161841143095361.atom
making animated gifs
11 models are in 2402161841143095361.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161841143095361.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161841143095361.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2402161841143095361.10.pdb
2402161841143095361.11.pdb
2402161841143095361.7.pdb
2402161841143095361.8.pdb
2402161841143095361.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m44.222s
user 0m44.089s
sys 0m0.132s
../../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: 2402161841143095361.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
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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