*** AlphaFold_modesNormaux ***
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 = 2401212249012122656.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 2401212249012122656.atom to be opened.
Openam> File opened: 2401212249012122656.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 = 177
First residue number = 1
Last residue number = 177
Number of atoms found = 1375
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 0.526591 +/- 8.804438 From: -23.389000 To: 19.787000
= 0.803793 +/- 8.288869 From: -18.700000 To: 26.063000
= -2.061207 +/- 9.044201 From: -22.842000 To: 19.706000
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 5.7987 % Filled.
Pdbmat> 493465 non-zero elements.
Pdbmat> 53925 atom-atom interactions.
Pdbmat> Number per atom= 78.44 +/- 23.98
Maximum number = 129
Minimum number = 8
Pdbmat> Matrix trace = 1.078500E+06
Pdbmat> Larger element = 482.749
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
177 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 = 2401212249012122656.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 2401212249012122656.atom to be opened.
Openam> file on opening on unit 11:
2401212249012122656.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1375 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> 177 residues.
Blocpdb> 8 atoms in block 1
Block first atom: 1
Blocpdb> 5 atoms in block 2
Block first atom: 9
Blocpdb> 6 atoms in block 3
Block first atom: 14
Blocpdb> 9 atoms in block 4
Block first atom: 20
Blocpdb> 7 atoms in block 5
Block first atom: 29
Blocpdb> 8 atoms in block 6
Block first atom: 36
Blocpdb> 7 atoms in block 7
Block first atom: 44
Blocpdb> 7 atoms in block 8
Block first atom: 51
Blocpdb> 11 atoms in block 9
Block first atom: 58
Blocpdb> 9 atoms in block 10
Block first atom: 69
Blocpdb> 7 atoms in block 11
Block first atom: 78
Blocpdb> 4 atoms in block 12
Block first atom: 85
Blocpdb> 8 atoms in block 13
Block first atom: 89
Blocpdb> 10 atoms in block 14
Block first atom: 97
Blocpdb> 9 atoms in block 15
Block first atom: 107
Blocpdb> 5 atoms in block 16
Block first atom: 116
Blocpdb> 11 atoms in block 17
Block first atom: 121
Blocpdb> 8 atoms in block 18
Block first atom: 132
Blocpdb> 9 atoms in block 19
Block first atom: 140
Blocpdb> 11 atoms in block 20
Block first atom: 149
Blocpdb> 5 atoms in block 21
Block first atom: 160
Blocpdb> 8 atoms in block 22
Block first atom: 165
Blocpdb> 7 atoms in block 23
Block first atom: 173
Blocpdb> 9 atoms in block 24
Block first atom: 180
Blocpdb> 5 atoms in block 25
Block first atom: 189
Blocpdb> 9 atoms in block 26
Block first atom: 194
Blocpdb> 11 atoms in block 27
Block first atom: 203
Blocpdb> 6 atoms in block 28
Block first atom: 214
Blocpdb> 7 atoms in block 29
Block first atom: 220
Blocpdb> 7 atoms in block 30
Block first atom: 227
Blocpdb> 5 atoms in block 31
Block first atom: 234
Blocpdb> 4 atoms in block 32
Block first atom: 239
Blocpdb> 8 atoms in block 33
Block first atom: 243
Blocpdb> 9 atoms in block 34
Block first atom: 251
Blocpdb> 11 atoms in block 35
Block first atom: 260
Blocpdb> 6 atoms in block 36
Block first atom: 271
Blocpdb> 7 atoms in block 37
Block first atom: 277
Blocpdb> 4 atoms in block 38
Block first atom: 284
Blocpdb> 5 atoms in block 39
Block first atom: 288
Blocpdb> 7 atoms in block 40
Block first atom: 293
Blocpdb> 8 atoms in block 41
Block first atom: 300
Blocpdb> 7 atoms in block 42
Block first atom: 308
Blocpdb> 8 atoms in block 43
Block first atom: 315
Blocpdb> 5 atoms in block 44
Block first atom: 323
Blocpdb> 5 atoms in block 45
Block first atom: 328
Blocpdb> 9 atoms in block 46
Block first atom: 333
Blocpdb> 4 atoms in block 47
Block first atom: 342
Blocpdb> 9 atoms in block 48
Block first atom: 346
Blocpdb> 7 atoms in block 49
Block first atom: 355
Blocpdb> 8 atoms in block 50
Block first atom: 362
Blocpdb> 6 atoms in block 51
Block first atom: 370
Blocpdb> 7 atoms in block 52
Block first atom: 376
Blocpdb> 4 atoms in block 53
Block first atom: 383
Blocpdb> 12 atoms in block 54
Block first atom: 387
Blocpdb> 6 atoms in block 55
Block first atom: 399
Blocpdb> 8 atoms in block 56
Block first atom: 405
Blocpdb> 9 atoms in block 57
Block first atom: 413
Blocpdb> 12 atoms in block 58
Block first atom: 422
Blocpdb> 7 atoms in block 59
Block first atom: 434
Blocpdb> 11 atoms in block 60
Block first atom: 441
Blocpdb> 8 atoms in block 61
Block first atom: 452
Blocpdb> 12 atoms in block 62
Block first atom: 460
Blocpdb> 9 atoms in block 63
Block first atom: 472
Blocpdb> 4 atoms in block 64
Block first atom: 481
Blocpdb> 8 atoms in block 65
Block first atom: 485
Blocpdb> 7 atoms in block 66
Block first atom: 493
Blocpdb> 4 atoms in block 67
Block first atom: 500
Blocpdb> 7 atoms in block 68
Block first atom: 504
Blocpdb> 7 atoms in block 69
Block first atom: 511
Blocpdb> 10 atoms in block 70
Block first atom: 518
Blocpdb> 5 atoms in block 71
Block first atom: 528
Blocpdb> 9 atoms in block 72
Block first atom: 533
Blocpdb> 9 atoms in block 73
Block first atom: 542
Blocpdb> 6 atoms in block 74
Block first atom: 551
Blocpdb> 6 atoms in block 75
Block first atom: 557
Blocpdb> 11 atoms in block 76
Block first atom: 563
Blocpdb> 8 atoms in block 77
Block first atom: 574
Blocpdb> 9 atoms in block 78
Block first atom: 582
Blocpdb> 8 atoms in block 79
Block first atom: 591
Blocpdb> 5 atoms in block 80
Block first atom: 599
Blocpdb> 8 atoms in block 81
Block first atom: 604
Blocpdb> 9 atoms in block 82
Block first atom: 612
Blocpdb> 10 atoms in block 83
Block first atom: 621
Blocpdb> 8 atoms in block 84
Block first atom: 631
Blocpdb> 8 atoms in block 85
Block first atom: 639
Blocpdb> 7 atoms in block 86
Block first atom: 647
Blocpdb> 9 atoms in block 87
Block first atom: 654
Blocpdb> 9 atoms in block 88
Block first atom: 663
Blocpdb> 11 atoms in block 89
Block first atom: 672
Blocpdb> 8 atoms in block 90
Block first atom: 683
Blocpdb> 10 atoms in block 91
Block first atom: 691
Blocpdb> 9 atoms in block 92
Block first atom: 701
Blocpdb> 7 atoms in block 93
Block first atom: 710
Blocpdb> 8 atoms in block 94
Block first atom: 717
Blocpdb> 7 atoms in block 95
Block first atom: 725
Blocpdb> 7 atoms in block 96
Block first atom: 732
Blocpdb> 8 atoms in block 97
Block first atom: 739
Blocpdb> 7 atoms in block 98
Block first atom: 747
Blocpdb> 7 atoms in block 99
Block first atom: 754
Blocpdb> 8 atoms in block 100
Block first atom: 761
Blocpdb> 12 atoms in block 101
Block first atom: 769
Blocpdb> 7 atoms in block 102
Block first atom: 781
Blocpdb> 7 atoms in block 103
Block first atom: 788
Blocpdb> 8 atoms in block 104
Block first atom: 795
Blocpdb> 9 atoms in block 105
Block first atom: 803
Blocpdb> 7 atoms in block 106
Block first atom: 812
Blocpdb> 6 atoms in block 107
Block first atom: 819
Blocpdb> 8 atoms in block 108
Block first atom: 825
Blocpdb> 9 atoms in block 109
Block first atom: 833
Blocpdb> 11 atoms in block 110
Block first atom: 842
Blocpdb> 8 atoms in block 111
Block first atom: 853
Blocpdb> 6 atoms in block 112
Block first atom: 861
Blocpdb> 4 atoms in block 113
Block first atom: 867
Blocpdb> 8 atoms in block 114
Block first atom: 871
Blocpdb> 8 atoms in block 115
Block first atom: 879
Blocpdb> 7 atoms in block 116
Block first atom: 887
Blocpdb> 6 atoms in block 117
Block first atom: 894
Blocpdb> 5 atoms in block 118
Block first atom: 900
Blocpdb> 7 atoms in block 119
Block first atom: 905
Blocpdb> 11 atoms in block 120
Block first atom: 912
Blocpdb> 8 atoms in block 121
Block first atom: 923
Blocpdb> 8 atoms in block 122
Block first atom: 931
Blocpdb> 11 atoms in block 123
Block first atom: 939
Blocpdb> 8 atoms in block 124
Block first atom: 950
Blocpdb> 9 atoms in block 125
Block first atom: 958
Blocpdb> 4 atoms in block 126
Block first atom: 967
Blocpdb> 5 atoms in block 127
Block first atom: 971
Blocpdb> 8 atoms in block 128
Block first atom: 976
Blocpdb> 9 atoms in block 129
Block first atom: 984
Blocpdb> 7 atoms in block 130
Block first atom: 993
Blocpdb> 7 atoms in block 131
Block first atom: 1000
Blocpdb> 12 atoms in block 132
Block first atom: 1007
Blocpdb> 7 atoms in block 133
Block first atom: 1019
Blocpdb> 4 atoms in block 134
Block first atom: 1026
Blocpdb> 8 atoms in block 135
Block first atom: 1030
Blocpdb> 11 atoms in block 136
Block first atom: 1038
Blocpdb> 9 atoms in block 137
Block first atom: 1049
Blocpdb> 7 atoms in block 138
Block first atom: 1058
Blocpdb> 4 atoms in block 139
Block first atom: 1065
Blocpdb> 7 atoms in block 140
Block first atom: 1069
Blocpdb> 11 atoms in block 141
Block first atom: 1076
Blocpdb> 8 atoms in block 142
Block first atom: 1087
Blocpdb> 5 atoms in block 143
Block first atom: 1095
Blocpdb> 8 atoms in block 144
Block first atom: 1100
Blocpdb> 8 atoms in block 145
Block first atom: 1108
Blocpdb> 8 atoms in block 146
Block first atom: 1116
Blocpdb> 4 atoms in block 147
Block first atom: 1124
Blocpdb> 9 atoms in block 148
Block first atom: 1128
Blocpdb> 9 atoms in block 149
Block first atom: 1137
Blocpdb> 11 atoms in block 150
Block first atom: 1146
Blocpdb> 8 atoms in block 151
Block first atom: 1157
Blocpdb> 9 atoms in block 152
Block first atom: 1165
Blocpdb> 5 atoms in block 153
Block first atom: 1174
Blocpdb> 8 atoms in block 154
Block first atom: 1179
Blocpdb> 4 atoms in block 155
Block first atom: 1187
Blocpdb> 7 atoms in block 156
Block first atom: 1191
Blocpdb> 9 atoms in block 157
Block first atom: 1198
Blocpdb> 7 atoms in block 158
Block first atom: 1207
Blocpdb> 7 atoms in block 159
Block first atom: 1214
Blocpdb> 12 atoms in block 160
Block first atom: 1221
Blocpdb> 7 atoms in block 161
Block first atom: 1233
Blocpdb> 7 atoms in block 162
Block first atom: 1240
Blocpdb> 9 atoms in block 163
Block first atom: 1247
Blocpdb> 10 atoms in block 164
Block first atom: 1256
Blocpdb> 14 atoms in block 165
Block first atom: 1266
Blocpdb> 11 atoms in block 166
Block first atom: 1280
Blocpdb> 8 atoms in block 167
Block first atom: 1291
Blocpdb> 11 atoms in block 168
Block first atom: 1299
Blocpdb> 8 atoms in block 169
Block first atom: 1310
Blocpdb> 7 atoms in block 170
Block first atom: 1318
Blocpdb> 9 atoms in block 171
Block first atom: 1325
Blocpdb> 8 atoms in block 172
Block first atom: 1334
Blocpdb> 6 atoms in block 173
Block first atom: 1342
Blocpdb> 8 atoms in block 174
Block first atom: 1348
Blocpdb> 5 atoms in block 175
Block first atom: 1356
Blocpdb> 4 atoms in block 176
Block first atom: 1361
Blocpdb> 11 atoms in block 177
Block first atom: 1364
Blocpdb> 177 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> 493642 matrix lines read.
Prepmat> Matrix order = 4125
Prepmat> Matrix trace = 1078500.0000
Prepmat> Last element read: 4125 4125 178.0212
Prepmat> 15754 lines saved.
Prepmat> 13451 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: 1375
RTB> Total mass = 1375.0000
RTB> Number of atoms found in matrix: 1375
RTB> Number of blocks = 177
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 256512.5978
RTB> 80217 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 = 1062
Diagstd> Nb of non-zero elements: 80217
Diagstd> Projected matrix trace = 256512.5978
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1062 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 256512.5978
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2422912 0.3174897 1.6615791 3.1502975
7.1473793 8.4470026 8.5429256 9.5220487 9.9300349
11.2041098 12.1872048 13.8306843 14.4207351 15.0093542
15.8426818 16.8912581 18.2740826 19.0930958 19.7390168
20.5476105 21.4464361 22.2835823 23.2450038 23.7724912
25.0979761 25.7113402 26.0186698 27.8348008 29.0909882
29.8334031 29.9290579 32.1278881 32.7823609 33.8617876
34.3406506 34.8060973 35.3178038 36.1161458 36.5594417
37.8742137 38.1290318 39.1169907 39.7550790 40.2496292
41.6696465 42.1688975 43.0115035 43.9181742 44.1991815
45.3183156 46.3232474 46.9406728 47.8114110 48.7173444
49.4497724 49.9461024 51.3452056 52.1568531 52.9959313
53.6405557 54.0703413 54.2707048 55.8403003 56.6542320
57.0317120 57.8531224 58.6907864 59.4964056 59.7663305
60.2301768 61.7292961 62.8965667 63.6496330 63.7708346
64.6859181 65.3463510 65.7441250 66.2987919 68.2044822
68.5512752 68.8711999 69.4718024 70.3540351 70.8190879
72.4236490 73.7057843 73.8536728 74.6050209 74.8625134
75.1627880 76.1946352 77.6561451 78.1302189 78.7361233
79.3952758 80.2754679 80.8062290 81.4394171 82.1686765
82.9956664
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034332 0.0034332 0.0034334 0.0034336 0.0034346
0.0034348 53.4520182 61.1871345 139.9767131 192.7396501
290.3144774 315.6069755 317.3939120 335.0892381 342.1926421
363.4828782 379.0943706 403.8472363 412.3718210 420.7036528
432.2247483 446.2993763 464.2084826 474.4969838 482.4563634
492.2389120 502.8898231 512.6108386 523.5523237 529.4593571
544.0197055 550.6271702 553.9082388 572.9138733 585.6990470
593.1256131 594.0757205 615.5117803 621.7494272 631.9027141
636.3551160 640.6531197 645.3452609 652.5983616 656.5911999
668.2932783 670.5376511 679.1692249 684.6862250 688.9317851
700.9792917 705.1660632 712.1764234 719.6435197 721.9421418
731.0248829 739.0856645 743.9948599 750.8636162 757.9439378
763.6202362 767.4429167 778.1175823 784.2435767 790.5267034
795.3200193 798.4998439 799.9779399 811.4638047 817.3563833
820.0748334 825.9593652 831.9174705 837.6076687 839.5055593
842.7569629 853.1805432 861.2093770 866.3497058 867.1741647
873.3737878 877.8209690 880.4886362 884.1950672 896.8126763
899.0897556 901.1853124 905.1062496 910.8351580 913.8405911
924.1351339 932.2793535 933.2141804 937.9491808 939.5664101
941.4488317 947.8889865 956.9366635 959.8531640 963.5678348
967.5927620 972.9414437 976.1525660 979.9696116 984.3474629
989.2885633
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1375
Rtb_to_modes> Number of blocs = 177
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: 9.9955E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9958E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9967E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9979E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.2423
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.3175
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.662
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.150
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 7.147
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 8.447
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 8.543
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 9.522
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 9.930
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 11.20
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 12.19
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 13.83
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 14.42
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 15.01
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 15.84
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 16.89
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 18.27
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 19.09
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 19.74
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 20.55
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 21.45
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 22.28
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 23.25
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 23.77
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 25.10
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 25.71
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 26.02
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 27.83
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 29.09
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 29.83
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 29.93
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 32.13
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 32.78
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 33.86
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 34.34
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 34.81
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 35.32
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 36.12
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 36.56
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 37.87
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 38.13
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 39.12
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 39.76
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 40.25
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 41.67
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 42.17
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 43.01
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 43.92
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 44.20
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 45.32
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 46.32
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 46.94
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 47.81
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 48.72
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 49.45
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 49.95
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 51.35
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 52.16
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 53.00
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 53.64
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 54.07
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 54.27
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 55.84
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 56.65
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 57.03
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 57.85
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 58.69
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 59.50
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 59.77
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 60.23
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 61.73
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 62.90
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 63.65
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 63.77
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 64.69
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 65.35
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 65.74
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 66.30
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 68.20
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 68.55
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 68.87
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 69.47
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 70.35
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 70.82
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 72.42
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 73.71
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 73.85
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 74.61
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 74.86
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 75.16
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 76.19
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 77.66
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 78.13
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 78.74
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 79.40
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 80.28
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 80.81
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 81.44
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 82.17
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 83.00
Rtb_to_modes> 106 vectors, with 1062 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 0.99998 1.00000 1.00000 0.99999
0.99999 1.00004 1.00002 1.00002 0.99999
1.00002 1.00000 1.00000 1.00001 1.00000
1.00000 1.00001 1.00004 1.00002 1.00000
0.99999 1.00000 1.00001 1.00002 1.00002
0.99995 0.99996 0.99999 0.99999 1.00001
1.00000 0.99999 1.00000 1.00002 1.00001
0.99999 0.99997 1.00001 1.00000 1.00001
0.99998 1.00002 1.00000 1.00000 1.00004
1.00004 1.00002 1.00001 1.00001 1.00001
1.00002 0.99999 1.00001 1.00000 1.00001
0.99998 0.99997 1.00002 0.99998 1.00005
1.00002 0.99998 1.00000 1.00000 0.99999
0.99998 1.00002 0.99999 1.00001 1.00000
0.99998 0.99999 1.00003 0.99998 1.00000
0.99998 1.00000 0.99998 0.99997 1.00002
1.00002 1.00000 1.00002 1.00001 0.99997
0.99998 1.00000 0.99998 1.00001 1.00001
1.00001 0.99997 1.00003 0.99999 1.00000
1.00001 1.00002 0.99999 1.00002 1.00000
0.99999 1.00002 0.99997 1.00003 1.00001
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 24750 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 0.99998 1.00000 1.00000 0.99999
0.99999 1.00004 1.00002 1.00002 0.99999
1.00002 1.00000 1.00000 1.00001 1.00000
1.00000 1.00001 1.00004 1.00002 1.00000
0.99999 1.00000 1.00001 1.00002 1.00002
0.99995 0.99996 0.99999 0.99999 1.00001
1.00000 0.99999 1.00000 1.00002 1.00001
0.99999 0.99997 1.00001 1.00000 1.00001
0.99998 1.00002 1.00000 1.00000 1.00004
1.00004 1.00002 1.00001 1.00001 1.00001
1.00002 0.99999 1.00001 1.00000 1.00001
0.99998 0.99997 1.00002 0.99998 1.00005
1.00002 0.99998 1.00000 1.00000 0.99999
0.99998 1.00002 0.99999 1.00001 1.00000
0.99998 0.99999 1.00003 0.99998 1.00000
0.99998 1.00000 0.99998 0.99997 1.00002
1.00002 1.00000 1.00002 1.00001 0.99997
0.99998 1.00000 0.99998 1.00001 1.00001
1.00001 0.99997 1.00003 0.99999 1.00000
1.00001 1.00002 0.99999 1.00002 1.00000
0.99999 1.00002 0.99997 1.00003 1.00001
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> 2401212249012122656.eigenfacs
Openam> file on opening on unit 10:
2401212249012122656.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401212249012122656.atom
Openam> file on opening on unit 11:
2401212249012122656.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 = 177
First residue number = 1
Last residue number = 177
Number of atoms found = 1375
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9955E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9958E-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: 9.9979E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2423
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3175
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.662
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.150
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 7.147
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 8.447
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 8.543
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 9.522
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 9.930
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 11.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 12.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 13.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 14.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 15.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 15.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 16.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 18.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 19.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 19.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 20.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 21.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 22.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 23.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 23.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 25.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 25.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 26.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 27.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 29.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 29.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 29.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 32.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 32.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 33.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 34.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 34.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 35.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 36.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 36.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 37.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 38.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 39.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 39.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 40.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 41.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 42.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 43.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 43.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 44.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 45.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 46.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 46.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 47.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 48.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 49.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 49.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 51.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 52.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 53.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 53.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 54.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 54.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 55.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 56.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 57.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 57.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 58.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 59.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 59.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 60.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 61.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 62.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 63.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 63.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 64.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 65.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 65.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 66.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 68.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 68.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 68.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 69.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 70.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 70.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 72.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 73.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 73.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 74.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 74.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 75.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 76.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 77.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 78.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 78.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 79.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 80.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 80.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 81.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 82.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 83.00
Bfactors> 106 vectors, 4125 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.242300
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= -0.448 for 177 C-alpha atoms.
Bfactors> = 0.096 +/- 0.65
Bfactors> = 87.992 +/- 12.60
Bfactors> Shiftng-fct= 87.896
Bfactors> Scaling-fct= 19.387
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401212249012122656 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-80
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-60
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-40
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-20
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=0
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=20
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=40
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=60
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=80
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=100
2401212249012122656.eigenfacs
2401212249012122656.atom
making animated gifs
11 models are in 2401212249012122656.7.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 2401212249012122656.7.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 2401212249012122656.7.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 2401212249012122656 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-80
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-60
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-40
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-20
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=0
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=20
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=40
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=60
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=80
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=100
2401212249012122656.eigenfacs
2401212249012122656.atom
making animated gifs
11 models are in 2401212249012122656.8.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 2401212249012122656.8.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 2401212249012122656.8.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 2401212249012122656 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-80
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-60
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-40
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-20
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=0
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=20
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=40
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=60
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=80
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=100
2401212249012122656.eigenfacs
2401212249012122656.atom
making animated gifs
11 models are in 2401212249012122656.9.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 2401212249012122656.9.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 2401212249012122656.9.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 2401212249012122656 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-80
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-60
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-40
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-20
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=0
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=20
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=40
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=60
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=80
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=100
2401212249012122656.eigenfacs
2401212249012122656.atom
making animated gifs
11 models are in 2401212249012122656.10.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 2401212249012122656.10.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 2401212249012122656.10.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 2401212249012122656 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-80
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-60
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-40
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=-20
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=0
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=20
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=40
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=60
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=80
2401212249012122656.eigenfacs
2401212249012122656.atom
calculating perturbed structure for DQ=100
2401212249012122656.eigenfacs
2401212249012122656.atom
making animated gifs
11 models are in 2401212249012122656.11.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 2401212249012122656.11.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 2401212249012122656.11.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
2401212249012122656.10.pdb
2401212249012122656.11.pdb
2401212249012122656.7.pdb
2401212249012122656.8.pdb
2401212249012122656.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m16.514s
user 0m16.480s
sys 0m0.012s
../../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: 2401212249012122656.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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