*** ***
output from eigenvector calculation:
STDOUT:
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 = 2404140446434184336.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 2404140446434184336.atom to be opened.
Openam> File opened: 2404140446434184336.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 = 186
First residue number = 97
Last residue number = 290
Number of atoms found = 1483
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= 167.943380 +/- 9.238424 From: 141.653000 To: 188.936000
= -28.574038 +/- 8.861252 From: -49.812000 To: -4.386000
= -263.469270 +/- 9.762061 From: -285.450000 To: -240.120000
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 5.3946 % Filled.
Pdbmat> 534015 non-zero elements.
Pdbmat> 58353 atom-atom interactions.
Pdbmat> Number per atom= 78.70 +/- 24.76
Maximum number = 127
Minimum number = 13
Pdbmat> Matrix trace = 1.167060E+06
Pdbmat> Larger element = 499.374
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
186 non-zero elements, NRBL set to 1
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 = 2404140446434184336.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
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 2404140446434184336.atom to be opened.
Openam> file on opening on unit 11:
2404140446434184336.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1483 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 186 residues.
Blocpdb> 7 atoms in block 1
Block first atom: 1
Blocpdb> 7 atoms in block 2
Block first atom: 8
Blocpdb> 6 atoms in block 3
Block first atom: 15
Blocpdb> 9 atoms in block 4
Block first atom: 21
Blocpdb> 9 atoms in block 5
Block first atom: 30
Blocpdb> 7 atoms in block 6
Block first atom: 39
Blocpdb> 12 atoms in block 7
Block first atom: 46
Blocpdb> 9 atoms in block 8
Block first atom: 58
Blocpdb> 4 atoms in block 9
Block first atom: 67
Blocpdb> 6 atoms in block 10
Block first atom: 71
Blocpdb> 12 atoms in block 11
Block first atom: 77
Blocpdb> 4 atoms in block 12
Block first atom: 89
Blocpdb> 11 atoms in block 13
Block first atom: 93
Blocpdb> 11 atoms in block 14
Block first atom: 104
Blocpdb> 8 atoms in block 15
Block first atom: 115
Blocpdb> 4 atoms in block 16
Block first atom: 123
Blocpdb> 11 atoms in block 17
Block first atom: 127
Blocpdb> 8 atoms in block 18
Block first atom: 138
Blocpdb> 10 atoms in block 19
Block first atom: 146
Blocpdb> 6 atoms in block 20
Block first atom: 156
Blocpdb> 6 atoms in block 21
Block first atom: 162
Blocpdb> 7 atoms in block 22
Block first atom: 168
Blocpdb> 7 atoms in block 23
Block first atom: 175
Blocpdb> 6 atoms in block 24
Block first atom: 182
Blocpdb> 7 atoms in block 25
Block first atom: 188
Blocpdb> 12 atoms in block 26
Block first atom: 195
Blocpdb> 6 atoms in block 27
Block first atom: 207
Blocpdb> 7 atoms in block 28
Block first atom: 213
Blocpdb> 5 atoms in block 29
Block first atom: 220
Blocpdb> 8 atoms in block 30
Block first atom: 225
Blocpdb> 8 atoms in block 31
Block first atom: 233
Blocpdb> 9 atoms in block 32
Block first atom: 241
Blocpdb> 8 atoms in block 33
Block first atom: 250
Blocpdb> 11 atoms in block 34
Block first atom: 258
Blocpdb> 6 atoms in block 35
Block first atom: 269
Blocpdb> 9 atoms in block 36
Block first atom: 275
Blocpdb> 8 atoms in block 37
Block first atom: 284
Blocpdb> 5 atoms in block 38
Block first atom: 292
Blocpdb> 9 atoms in block 39
Block first atom: 297
Blocpdb> 7 atoms in block 40
Block first atom: 306
Blocpdb> 6 atoms in block 41
Block first atom: 313
Blocpdb> 7 atoms in block 42
Block first atom: 319
Blocpdb> 7 atoms in block 43
Block first atom: 326
Blocpdb> 9 atoms in block 44
Block first atom: 333
Blocpdb> 8 atoms in block 45
Block first atom: 342
Blocpdb> 14 atoms in block 46
Block first atom: 350
Blocpdb> 7 atoms in block 47
Block first atom: 364
Blocpdb> 8 atoms in block 48
Block first atom: 371
Blocpdb> 6 atoms in block 49
Block first atom: 379
Blocpdb> 7 atoms in block 50
Block first atom: 385
Blocpdb> 7 atoms in block 51
Block first atom: 392
Blocpdb> 7 atoms in block 52
Block first atom: 399
Blocpdb> 7 atoms in block 53
Block first atom: 406
Blocpdb> 4 atoms in block 54
Block first atom: 413
Blocpdb> 7 atoms in block 55
Block first atom: 417
Blocpdb> 11 atoms in block 56
Block first atom: 424
Blocpdb> 7 atoms in block 57
Block first atom: 435
Blocpdb> 11 atoms in block 58
Block first atom: 442
Blocpdb> 5 atoms in block 59
Block first atom: 453
Blocpdb> 8 atoms in block 60
Block first atom: 458
Blocpdb> 5 atoms in block 61
Block first atom: 466
Blocpdb> 8 atoms in block 62
Block first atom: 471
Blocpdb> 12 atoms in block 63
Block first atom: 479
Blocpdb> 9 atoms in block 64
Block first atom: 491
Blocpdb> 9 atoms in block 65
Block first atom: 500
Blocpdb> 6 atoms in block 66
Block first atom: 509
Blocpdb> 9 atoms in block 67
Block first atom: 515
Blocpdb> 10 atoms in block 68
Block first atom: 524
Blocpdb> 8 atoms in block 69
Block first atom: 534
Blocpdb> 7 atoms in block 70
Block first atom: 542
Blocpdb> 9 atoms in block 71
Block first atom: 549
Blocpdb> 7 atoms in block 72
Block first atom: 558
Blocpdb> 7 atoms in block 73
Block first atom: 565
Blocpdb> 11 atoms in block 74
Block first atom: 572
Blocpdb> 11 atoms in block 75
Block first atom: 583
Blocpdb> 6 atoms in block 76
Block first atom: 594
Blocpdb> 7 atoms in block 77
Block first atom: 600
Blocpdb> 10 atoms in block 78
Block first atom: 607
Blocpdb> 10 atoms in block 79
Block first atom: 617
Blocpdb> 9 atoms in block 80
Block first atom: 627
Blocpdb> 11 atoms in block 81
Block first atom: 636
Blocpdb> 8 atoms in block 82
Block first atom: 647
Blocpdb> 4 atoms in block 83
Block first atom: 655
Blocpdb> 8 atoms in block 84
Block first atom: 659
Blocpdb> 5 atoms in block 85
Block first atom: 667
Blocpdb> 7 atoms in block 86
Block first atom: 672
Blocpdb> 7 atoms in block 87
Block first atom: 679
Blocpdb> 9 atoms in block 88
Block first atom: 686
Blocpdb> 10 atoms in block 89
Block first atom: 695
Blocpdb> 8 atoms in block 90
Block first atom: 705
Blocpdb> 8 atoms in block 91
Block first atom: 713
Blocpdb> 11 atoms in block 92
Block first atom: 721
Blocpdb> 7 atoms in block 93
Block first atom: 732
Blocpdb> 9 atoms in block 94
Block first atom: 739
Blocpdb> 4 atoms in block 95
Block first atom: 748
Blocpdb> 8 atoms in block 96
Block first atom: 752
Blocpdb> 8 atoms in block 97
Block first atom: 760
Blocpdb> 11 atoms in block 98
Block first atom: 768
Blocpdb> 7 atoms in block 99
Block first atom: 779
Blocpdb> 9 atoms in block 100
Block first atom: 786
Blocpdb> 12 atoms in block 101
Block first atom: 795
Blocpdb> 8 atoms in block 102
Block first atom: 807
Blocpdb> 8 atoms in block 103
Block first atom: 815
Blocpdb> 8 atoms in block 104
Block first atom: 823
Blocpdb> 11 atoms in block 105
Block first atom: 831
Blocpdb> 8 atoms in block 106
Block first atom: 842
Blocpdb> 7 atoms in block 107
Block first atom: 850
Blocpdb> 11 atoms in block 108
Block first atom: 857
Blocpdb> 11 atoms in block 109
Block first atom: 868
Blocpdb> 10 atoms in block 110
Block first atom: 879
Blocpdb> 6 atoms in block 111
Block first atom: 889
Blocpdb> 7 atoms in block 112
Block first atom: 895
Blocpdb> 7 atoms in block 113
Block first atom: 902
Blocpdb> 7 atoms in block 114
Block first atom: 909
Blocpdb> 7 atoms in block 115
Block first atom: 916
Blocpdb> 12 atoms in block 116
Block first atom: 923
Blocpdb> 9 atoms in block 117
Block first atom: 935
Blocpdb> 7 atoms in block 118
Block first atom: 944
Blocpdb> 7 atoms in block 119
Block first atom: 951
Blocpdb> 9 atoms in block 120
Block first atom: 958
Blocpdb> 7 atoms in block 121
Block first atom: 967
Blocpdb> 4 atoms in block 122
Block first atom: 974
Blocpdb> 6 atoms in block 123
Block first atom: 978
Blocpdb> 8 atoms in block 124
Block first atom: 984
Blocpdb> 6 atoms in block 125
Block first atom: 992
Blocpdb> 7 atoms in block 126
Block first atom: 998
Blocpdb> 7 atoms in block 127
Block first atom: 1005
Blocpdb> 8 atoms in block 128
Block first atom: 1012
Blocpdb> 10 atoms in block 129
Block first atom: 1020
Blocpdb> 12 atoms in block 130
Block first atom: 1030
Blocpdb> 8 atoms in block 131
Block first atom: 1042
Blocpdb> 12 atoms in block 132
Block first atom: 1050
Blocpdb> 8 atoms in block 133
Block first atom: 1062
Blocpdb> 12 atoms in block 134
Block first atom: 1070
Blocpdb> 8 atoms in block 135
Block first atom: 1082
Blocpdb> 6 atoms in block 136
Block first atom: 1090
Blocpdb> 6 atoms in block 137
Block first atom: 1096
Blocpdb> 6 atoms in block 138
Block first atom: 1102
Blocpdb> 8 atoms in block 139
Block first atom: 1108
Blocpdb> 4 atoms in block 140
Block first atom: 1116
Blocpdb> 4 atoms in block 141
Block first atom: 1120
Blocpdb> 8 atoms in block 142
Block first atom: 1124
Blocpdb> 8 atoms in block 143
Block first atom: 1132
Blocpdb> 11 atoms in block 144
Block first atom: 1140
Blocpdb> 11 atoms in block 145
Block first atom: 1151
Blocpdb> 7 atoms in block 146
Block first atom: 1162
Blocpdb> 8 atoms in block 147
Block first atom: 1169
Blocpdb> 8 atoms in block 148
Block first atom: 1177
Blocpdb> 7 atoms in block 149
Block first atom: 1185
Blocpdb> 8 atoms in block 150
Block first atom: 1192
Blocpdb> 8 atoms in block 151
Block first atom: 1200
Blocpdb> 7 atoms in block 152
Block first atom: 1208
Blocpdb> 8 atoms in block 153
Block first atom: 1215
Blocpdb> 9 atoms in block 154
Block first atom: 1223
Blocpdb> 8 atoms in block 155
Block first atom: 1232
Blocpdb> 6 atoms in block 156
Block first atom: 1240
Blocpdb> 6 atoms in block 157
Block first atom: 1246
Blocpdb> 4 atoms in block 158
Block first atom: 1252
Blocpdb> 8 atoms in block 159
Block first atom: 1256
Blocpdb> 8 atoms in block 160
Block first atom: 1264
Blocpdb> 8 atoms in block 161
Block first atom: 1272
Blocpdb> 4 atoms in block 162
Block first atom: 1280
Blocpdb> 11 atoms in block 163
Block first atom: 1284
Blocpdb> 8 atoms in block 164
Block first atom: 1295
Blocpdb> 6 atoms in block 165
Block first atom: 1303
Blocpdb> 11 atoms in block 166
Block first atom: 1309
Blocpdb> 9 atoms in block 167
Block first atom: 1320
Blocpdb> 7 atoms in block 168
Block first atom: 1329
Blocpdb> 11 atoms in block 169
Block first atom: 1336
Blocpdb> 7 atoms in block 170
Block first atom: 1347
Blocpdb> 6 atoms in block 171
Block first atom: 1354
Blocpdb> 5 atoms in block 172
Block first atom: 1360
Blocpdb> 6 atoms in block 173
Block first atom: 1365
Blocpdb> 7 atoms in block 174
Block first atom: 1371
Blocpdb> 4 atoms in block 175
Block first atom: 1378
Blocpdb> 11 atoms in block 176
Block first atom: 1382
Blocpdb> 8 atoms in block 177
Block first atom: 1393
Blocpdb> 11 atoms in block 178
Block first atom: 1401
Blocpdb> 11 atoms in block 179
Block first atom: 1412
Blocpdb> 7 atoms in block 180
Block first atom: 1423
Blocpdb> 9 atoms in block 181
Block first atom: 1430
Blocpdb> 9 atoms in block 182
Block first atom: 1439
Blocpdb> 9 atoms in block 183
Block first atom: 1448
Blocpdb> 8 atoms in block 184
Block first atom: 1457
Blocpdb> 8 atoms in block 185
Block first atom: 1465
Blocpdb> 11 atoms in block 186
Block first atom: 1472
Blocpdb> 186 blocks.
Blocpdb> At most, 14 atoms in each of them.
Blocpdb> At least, 4 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> 534201 matrix lines read.
Prepmat> Matrix order = 4449
Prepmat> Matrix trace = 1167060.0000
Prepmat> Last element read: 4449 4449 136.8911
Prepmat> 17392 lines saved.
Prepmat> 15097 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: 1483
RTB> Total mass = 1483.0000
RTB> Number of atoms found in matrix: 1483
RTB> Number of blocks = 186
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 267151.4573
RTB> 79794 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 1116
Diagstd> Nb of non-zero elements: 79794
Diagstd> Projected matrix trace = 267151.4573
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1116 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 267151.4573
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 3.9682937 4.0482192 4.6070101 4.9213448
5.4322678 7.1631899 7.5539083 8.1419609 9.3440366
9.9459094 10.1377968 10.7532822 11.5607535 12.0690062
12.1739589 13.1347986 14.5196289 15.2025755 15.4016894
15.7260002 16.0281948 16.3811464 17.3795722 17.5323488
17.9460559 18.7800558 20.1203167 20.3474561 21.0446406
21.7310768 22.2367523 22.4881745 23.7109809 24.0458069
24.2554394 25.6332907 27.0581488 27.7245468 28.1715507
29.1721377 30.0423058 30.5627048 31.9208428 32.0853892
32.5516647 33.8898129 34.8975013 35.1946581 36.1450211
37.0338928 37.8664460 38.0715205 38.9651142 40.0786988
40.9810364 41.9902837 43.2136780 43.3738699 44.1787261
44.8363054 46.2371859 46.4652675 47.4139378 47.8039541
49.2084812 50.4792348 51.7545042 52.5324759 53.0502092
53.2371654 54.3855556 55.1204822 56.1368064 57.1912481
57.7626675 58.3002706 59.0658871 59.8321975 60.0707095
60.5166059 62.2723553 62.9059050 63.6521385 65.2817511
65.6504369 65.9287354 67.4463917 67.6974888 68.0978185
68.9262129 69.2897041 69.5568913 69.7360374 70.2934279
70.9190265 71.3803055 72.0062864 72.8061763 73.0813937
74.7919436
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034324 0.0034333 0.0034334 0.0034340 0.0034341
0.0034352 216.3202541 218.4878502 233.0799213 240.9002101
253.0963400 290.6354003 298.4565630 309.8559109 331.9422600
342.4660540 345.7538868 356.0949387 369.2226636 377.2515519
378.8883005 393.5564087 413.7833757 423.4029362 426.1666505
430.6301353 434.7479933 439.5086486 452.7045100 454.6899253
460.0232563 470.5911113 487.0938957 489.8355944 498.1567704
506.2160417 512.0719177 514.9586782 528.7739372 532.4942932
534.8104112 549.7907915 564.8645506 571.7780881 576.3690571
586.5153838 595.1986141 600.3315580 613.5252694 615.1045451
619.5578758 632.1641540 641.4937746 644.2191872 652.8591891
660.8379307 668.2247437 670.0317637 677.8494638 687.4673656
695.1631601 703.6710511 713.8482451 715.1701288 721.7750655
727.1268629 738.3987912 740.2177603 747.7360047 750.8050600
761.7549078 771.5279467 781.2128106 787.0624898 790.9314243
792.3238738 800.8239720 806.2166900 813.6153461 821.2210395
825.3134080 829.1451517 834.5716844 839.9680307 841.6405686
844.7584830 856.9252231 861.2733071 866.3667567 877.3869651
879.8610459 881.7239815 891.8147283 893.4732610 896.1111481
901.5451656 903.9192464 905.6603657 906.8258947 910.4427494
914.4851616 917.4543866 921.4684860 926.5724688 928.3221024
939.1234607
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1483
Rtb_to_modes> Number of blocs = 186
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9910E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9962E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9967E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.968
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 4.048
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.607
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.921
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.432
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 7.163
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 7.554
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 8.142
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 9.344
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 9.946
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 10.14
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 10.75
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 11.56
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 12.07
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 12.17
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 13.13
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 14.52
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 15.20
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 15.40
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 15.73
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 16.03
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 16.38
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 17.38
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 17.53
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 17.95
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 18.78
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 20.12
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 20.35
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 21.04
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 21.73
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 22.24
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 22.49
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 23.71
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 24.05
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 24.26
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 25.63
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 27.06
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 27.72
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 28.17
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 29.17
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 30.04
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 30.56
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 31.92
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 32.09
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 32.55
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 33.89
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 34.90
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 35.19
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 36.15
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 37.03
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 37.87
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 38.07
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 38.97
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 40.08
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 40.98
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 41.99
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 43.21
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 43.37
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 44.18
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 44.84
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 46.24
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 46.47
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 47.41
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 47.80
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 49.21
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 50.48
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 51.75
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 52.53
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 53.05
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 53.24
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 54.39
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 55.12
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 56.14
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 57.19
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 57.76
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 58.30
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 59.07
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 59.83
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 60.07
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 60.52
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 62.27
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 62.91
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 63.65
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 65.28
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 65.65
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 65.93
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 67.45
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 67.70
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 68.10
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 68.93
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 69.29
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 69.56
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 69.74
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 70.29
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 70.92
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 71.38
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 72.01
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 72.81
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 73.08
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 74.79
Rtb_to_modes> 106 vectors, with 1116 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00002 0.99999 1.00000 0.99999
1.00000 1.00003 1.00004 1.00000 1.00003
0.99998 1.00002 1.00002 1.00000 0.99997
1.00001 0.99996 0.99998 0.99998 1.00000
0.99998 1.00003 1.00001 1.00002 0.99999
1.00002 1.00001 1.00001 0.99999 1.00002
0.99999 1.00001 1.00003 0.99998 0.99999
0.99998 1.00001 1.00001 0.99999 1.00001
0.99998 0.99999 1.00001 1.00001 1.00001
1.00000 1.00000 0.99998 0.99999 1.00000
0.99998 1.00004 1.00000 0.99999 1.00000
1.00001 0.99999 1.00004 0.99999 1.00004
1.00002 1.00003 1.00000 1.00000 1.00001
1.00000 1.00003 1.00001 1.00000 1.00001
1.00000 1.00000 0.99998 1.00001 1.00000
1.00000 1.00000 0.99999 1.00000 1.00001
0.99998 1.00001 1.00003 1.00003 1.00000
1.00002 1.00002 1.00001 0.99999 0.99999
1.00000 1.00000 0.99999 0.99996 0.99997
1.00001 1.00004 1.00003 1.00001 0.99999
1.00002 0.99999 1.00000 1.00003 0.99997
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 26694 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00002 0.99999 1.00000 0.99999
1.00000 1.00003 1.00004 1.00000 1.00003
0.99998 1.00002 1.00002 1.00000 0.99997
1.00001 0.99996 0.99998 0.99998 1.00000
0.99998 1.00003 1.00001 1.00002 0.99999
1.00002 1.00001 1.00001 0.99999 1.00002
0.99999 1.00001 1.00003 0.99998 0.99999
0.99998 1.00001 1.00001 0.99999 1.00001
0.99998 0.99999 1.00001 1.00001 1.00001
1.00000 1.00000 0.99998 0.99999 1.00000
0.99998 1.00004 1.00000 0.99999 1.00000
1.00001 0.99999 1.00004 0.99999 1.00004
1.00002 1.00003 1.00000 1.00000 1.00001
1.00000 1.00003 1.00001 1.00000 1.00001
1.00000 1.00000 0.99998 1.00001 1.00000
1.00000 1.00000 0.99999 1.00000 1.00001
0.99998 1.00001 1.00003 1.00003 1.00000
1.00002 1.00002 1.00001 0.99999 0.99999
1.00000 1.00000 0.99999 0.99996 0.99997
1.00001 1.00004 1.00003 1.00001 0.99999
1.00002 0.99999 1.00000 1.00003 0.99997
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000 0.000
Vector 4:-0.000 0.000-0.000
Vector 5:-0.000 0.000-0.000-0.000
Vector 6: 0.000-0.000 0.000-0.000-0.000
Vector 7:-0.000-0.000-0.000 0.000 0.000-0.000
Vector 8: 0.000 0.000 0.000-0.000-0.000-0.000 0.000
Vector 9:-0.000-0.000 0.000 0.000 0.000-0.000 0.000-0.000
Vector 10: 0.000-0.000 0.000-0.000-0.000 0.000 0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404140446434184336.eigenfacs
Openam> file on opening on unit 10:
2404140446434184336.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404140446434184336.atom
Openam> file on opening on unit 11:
2404140446434184336.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 = 186
First residue number = 97
Last residue number = 290
Number of atoms found = 1483
Mean number per residue = 8.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9910E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9962E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9967E-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: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.607
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.921
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.432
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 7.163
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 7.554
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 8.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 9.344
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 9.946
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 10.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 10.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 11.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 12.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 12.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 13.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 14.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 15.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 15.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 15.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 16.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 16.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 17.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 17.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 17.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 18.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 20.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 20.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 21.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 21.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 22.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 22.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 23.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 24.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 24.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 25.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 27.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 27.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 28.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 29.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 30.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 30.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 31.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 32.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 32.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 33.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 34.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 35.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 36.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 37.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 37.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 38.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 38.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 40.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 40.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 41.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 43.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 43.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 44.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 44.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 46.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 46.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 47.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 47.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 49.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 50.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 51.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 52.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 53.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 53.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 54.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 55.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 56.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 57.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 57.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 58.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 59.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 59.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 60.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 60.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 62.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 62.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 63.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 65.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 65.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 65.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 67.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 67.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 68.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 68.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 69.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 69.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 69.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 70.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 70.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 71.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 72.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 72.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 73.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 74.79
Bfactors> 106 vectors, 4449 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 3.968000
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= 0.474 for 187 C-alpha atoms.
Bfactors> = 0.037 +/- 0.06
Bfactors> = 29.908 +/- 13.17
Bfactors> Shiftng-fct= 29.871
Bfactors> Scaling-fct= 212.178
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404140446434184336 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-80
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-60
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-40
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-20
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=0
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=20
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=40
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=60
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=80
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=100
2404140446434184336.eigenfacs
2404140446434184336.atom
making animated gifs
11 models are in 2404140446434184336.7.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 2404140446434184336.7.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 2404140446434184336.7.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 2404140446434184336 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-80
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-60
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-40
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-20
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=0
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=20
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=40
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=60
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=80
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=100
2404140446434184336.eigenfacs
2404140446434184336.atom
making animated gifs
11 models are in 2404140446434184336.8.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 2404140446434184336.8.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 2404140446434184336.8.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 2404140446434184336 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-80
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-60
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-40
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-20
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=0
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=20
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=40
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=60
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=80
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=100
2404140446434184336.eigenfacs
2404140446434184336.atom
making animated gifs
11 models are in 2404140446434184336.9.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 2404140446434184336.9.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 2404140446434184336.9.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 2404140446434184336 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-80
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-60
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-40
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-20
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=0
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=20
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=40
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=60
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=80
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=100
2404140446434184336.eigenfacs
2404140446434184336.atom
making animated gifs
11 models are in 2404140446434184336.10.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 2404140446434184336.10.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 2404140446434184336.10.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 2404140446434184336 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-80
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-60
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-40
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=-20
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=0
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=20
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=40
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=60
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=80
2404140446434184336.eigenfacs
2404140446434184336.atom
calculating perturbed structure for DQ=100
2404140446434184336.eigenfacs
2404140446434184336.atom
making animated gifs
11 models are in 2404140446434184336.11.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 2404140446434184336.11.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 2404140446434184336.11.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
2404140446434184336.10.pdb
2404140446434184336.11.pdb
2404140446434184336.7.pdb
2404140446434184336.8.pdb
2404140446434184336.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m18.733s
user 0m18.689s
sys 0m0.044s
../../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: 2404140446434184336.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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