*** MOSMO_alphafold6C14 ***
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 = 24010712442953335.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 24010712442953335.atom to be opened.
Openam> File opened: 24010712442953335.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 = 167
First residue number = 1
Last residue number = 167
Number of atoms found = 1441
Mean number per residue = 8.6
Pdbmat> Coordinate statistics:
= -2.098052 +/- 11.090121 From: -31.677000 To: 23.828000
= -0.745411 +/- 6.454240 From: -16.476000 To: 17.510000
= -1.404842 +/- 13.283289 From: -35.618000 To: 29.271000
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 6.4123 % Filled.
Pdbmat> 599310 non-zero elements.
Pdbmat> 65641 atom-atom interactions.
Pdbmat> Number per atom= 91.10 +/- 27.55
Maximum number = 159
Minimum number = 10
Pdbmat> Matrix trace = 1.312820E+06
Pdbmat> Larger element = 620.324
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
167 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 = 24010712442953335.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 24010712442953335.atom to be opened.
Openam> file on opening on unit 11:
24010712442953335.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1441 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> 167 residues.
Blocpdb> 9 atoms in block 1
Block first atom: 1
Blocpdb> 9 atoms in block 2
Block first atom: 10
Blocpdb> 10 atoms in block 3
Block first atom: 19
Blocpdb> 9 atoms in block 4
Block first atom: 29
Blocpdb> 8 atoms in block 5
Block first atom: 38
Blocpdb> 9 atoms in block 6
Block first atom: 46
Blocpdb> 9 atoms in block 7
Block first atom: 55
Blocpdb> 7 atoms in block 8
Block first atom: 64
Blocpdb> 5 atoms in block 9
Block first atom: 71
Blocpdb> 7 atoms in block 10
Block first atom: 76
Blocpdb> 9 atoms in block 11
Block first atom: 83
Blocpdb> 12 atoms in block 12
Block first atom: 92
Blocpdb> 9 atoms in block 13
Block first atom: 104
Blocpdb> 6 atoms in block 14
Block first atom: 113
Blocpdb> 6 atoms in block 15
Block first atom: 119
Blocpdb> 9 atoms in block 16
Block first atom: 125
Blocpdb> 9 atoms in block 17
Block first atom: 134
Blocpdb> 12 atoms in block 18
Block first atom: 143
Blocpdb> 6 atoms in block 19
Block first atom: 155
Blocpdb> 9 atoms in block 20
Block first atom: 161
Blocpdb> 6 atoms in block 21
Block first atom: 170
Blocpdb> 7 atoms in block 22
Block first atom: 176
Blocpdb> 9 atoms in block 23
Block first atom: 183
Blocpdb> 6 atoms in block 24
Block first atom: 192
Blocpdb> 9 atoms in block 25
Block first atom: 198
Blocpdb> 7 atoms in block 26
Block first atom: 207
Blocpdb> 9 atoms in block 27
Block first atom: 214
Blocpdb> 15 atoms in block 28
Block first atom: 223
Blocpdb> 9 atoms in block 29
Block first atom: 238
Blocpdb> 9 atoms in block 30
Block first atom: 247
Blocpdb> 8 atoms in block 31
Block first atom: 256
Blocpdb> 5 atoms in block 32
Block first atom: 264
Blocpdb> 10 atoms in block 33
Block first atom: 269
Blocpdb> 7 atoms in block 34
Block first atom: 279
Blocpdb> 6 atoms in block 35
Block first atom: 286
Blocpdb> 5 atoms in block 36
Block first atom: 292
Blocpdb> 6 atoms in block 37
Block first atom: 297
Blocpdb> 9 atoms in block 38
Block first atom: 303
Blocpdb> 8 atoms in block 39
Block first atom: 312
Blocpdb> 8 atoms in block 40
Block first atom: 320
Blocpdb> 5 atoms in block 41
Block first atom: 328
Blocpdb> 9 atoms in block 42
Block first atom: 333
Blocpdb> 8 atoms in block 43
Block first atom: 342
Blocpdb> 12 atoms in block 44
Block first atom: 350
Blocpdb> 10 atoms in block 45
Block first atom: 362
Blocpdb> 7 atoms in block 46
Block first atom: 372
Blocpdb> 10 atoms in block 47
Block first atom: 379
Blocpdb> 8 atoms in block 48
Block first atom: 389
Blocpdb> 9 atoms in block 49
Block first atom: 397
Blocpdb> 11 atoms in block 50
Block first atom: 406
Blocpdb> 5 atoms in block 51
Block first atom: 417
Blocpdb> 12 atoms in block 52
Block first atom: 422
Blocpdb> 9 atoms in block 53
Block first atom: 434
Blocpdb> 12 atoms in block 54
Block first atom: 443
Blocpdb> 8 atoms in block 55
Block first atom: 455
Blocpdb> 7 atoms in block 56
Block first atom: 463
Blocpdb> 9 atoms in block 57
Block first atom: 470
Blocpdb> 7 atoms in block 58
Block first atom: 479
Blocpdb> 7 atoms in block 59
Block first atom: 486
Blocpdb> 12 atoms in block 60
Block first atom: 493
Blocpdb> 9 atoms in block 61
Block first atom: 505
Blocpdb> 7 atoms in block 62
Block first atom: 514
Blocpdb> 7 atoms in block 63
Block first atom: 521
Blocpdb> 10 atoms in block 64
Block first atom: 528
Blocpdb> 15 atoms in block 65
Block first atom: 538
Blocpdb> 8 atoms in block 66
Block first atom: 553
Blocpdb> 8 atoms in block 67
Block first atom: 561
Blocpdb> 8 atoms in block 68
Block first atom: 569
Blocpdb> 9 atoms in block 69
Block first atom: 577
Blocpdb> 12 atoms in block 70
Block first atom: 586
Blocpdb> 12 atoms in block 71
Block first atom: 598
Blocpdb> 9 atoms in block 72
Block first atom: 610
Blocpdb> 9 atoms in block 73
Block first atom: 619
Blocpdb> 9 atoms in block 74
Block first atom: 628
Blocpdb> 5 atoms in block 75
Block first atom: 637
Blocpdb> 9 atoms in block 76
Block first atom: 642
Blocpdb> 9 atoms in block 77
Block first atom: 651
Blocpdb> 7 atoms in block 78
Block first atom: 660
Blocpdb> 9 atoms in block 79
Block first atom: 667
Blocpdb> 8 atoms in block 80
Block first atom: 676
Blocpdb> 8 atoms in block 81
Block first atom: 684
Blocpdb> 8 atoms in block 82
Block first atom: 692
Blocpdb> 7 atoms in block 83
Block first atom: 700
Blocpdb> 5 atoms in block 84
Block first atom: 707
Blocpdb> 9 atoms in block 85
Block first atom: 712
Blocpdb> 9 atoms in block 86
Block first atom: 721
Blocpdb> 8 atoms in block 87
Block first atom: 730
Blocpdb> 6 atoms in block 88
Block first atom: 738
Blocpdb> 7 atoms in block 89
Block first atom: 744
Blocpdb> 11 atoms in block 90
Block first atom: 751
Blocpdb> 15 atoms in block 91
Block first atom: 762
Blocpdb> 12 atoms in block 92
Block first atom: 777
Blocpdb> 12 atoms in block 93
Block first atom: 789
Blocpdb> 10 atoms in block 94
Block first atom: 801
Blocpdb> 6 atoms in block 95
Block first atom: 811
Blocpdb> 8 atoms in block 96
Block first atom: 817
Blocpdb> 10 atoms in block 97
Block first atom: 825
Blocpdb> 13 atoms in block 98
Block first atom: 835
Blocpdb> 6 atoms in block 99
Block first atom: 848
Blocpdb> 12 atoms in block 100
Block first atom: 854
Blocpdb> 15 atoms in block 101
Block first atom: 866
Blocpdb> 9 atoms in block 102
Block first atom: 881
Blocpdb> 6 atoms in block 103
Block first atom: 890
Blocpdb> 12 atoms in block 104
Block first atom: 896
Blocpdb> 8 atoms in block 105
Block first atom: 908
Blocpdb> 5 atoms in block 106
Block first atom: 916
Blocpdb> 9 atoms in block 107
Block first atom: 921
Blocpdb> 8 atoms in block 108
Block first atom: 930
Blocpdb> 9 atoms in block 109
Block first atom: 938
Blocpdb> 12 atoms in block 110
Block first atom: 947
Blocpdb> 7 atoms in block 111
Block first atom: 959
Blocpdb> 9 atoms in block 112
Block first atom: 966
Blocpdb> 6 atoms in block 113
Block first atom: 975
Blocpdb> 6 atoms in block 114
Block first atom: 981
Blocpdb> 9 atoms in block 115
Block first atom: 987
Blocpdb> 9 atoms in block 116
Block first atom: 996
Blocpdb> 12 atoms in block 117
Block first atom: 1005
Blocpdb> 7 atoms in block 118
Block first atom: 1017
Blocpdb> 9 atoms in block 119
Block first atom: 1024
Blocpdb> 5 atoms in block 120
Block first atom: 1033
Blocpdb> 12 atoms in block 121
Block first atom: 1038
Blocpdb> 13 atoms in block 122
Block first atom: 1050
Blocpdb> 9 atoms in block 123
Block first atom: 1063
Blocpdb> 9 atoms in block 124
Block first atom: 1072
Blocpdb> 10 atoms in block 125
Block first atom: 1081
Blocpdb> 8 atoms in block 126
Block first atom: 1091
Blocpdb> 5 atoms in block 127
Block first atom: 1099
Blocpdb> 5 atoms in block 128
Block first atom: 1104
Blocpdb> 10 atoms in block 129
Block first atom: 1109
Blocpdb> 7 atoms in block 130
Block first atom: 1119
Blocpdb> 13 atoms in block 131
Block first atom: 1126
Blocpdb> 10 atoms in block 132
Block first atom: 1139
Blocpdb> 9 atoms in block 133
Block first atom: 1149
Blocpdb> 7 atoms in block 134
Block first atom: 1158
Blocpdb> 9 atoms in block 135
Block first atom: 1165
Blocpdb> 9 atoms in block 136
Block first atom: 1174
Blocpdb> 8 atoms in block 137
Block first atom: 1183
Blocpdb> 8 atoms in block 138
Block first atom: 1191
Blocpdb> 8 atoms in block 139
Block first atom: 1199
Blocpdb> 5 atoms in block 140
Block first atom: 1207
Blocpdb> 7 atoms in block 141
Block first atom: 1212
Blocpdb> 7 atoms in block 142
Block first atom: 1219
Blocpdb> 13 atoms in block 143
Block first atom: 1226
Blocpdb> 8 atoms in block 144
Block first atom: 1239
Blocpdb> 9 atoms in block 145
Block first atom: 1247
Blocpdb> 12 atoms in block 146
Block first atom: 1256
Blocpdb> 8 atoms in block 147
Block first atom: 1268
Blocpdb> 9 atoms in block 148
Block first atom: 1276
Blocpdb> 7 atoms in block 149
Block first atom: 1285
Blocpdb> 9 atoms in block 150
Block first atom: 1292
Blocpdb> 12 atoms in block 151
Block first atom: 1301
Blocpdb> 12 atoms in block 152
Block first atom: 1313
Blocpdb> 8 atoms in block 153
Block first atom: 1325
Blocpdb> 9 atoms in block 154
Block first atom: 1333
Blocpdb> 8 atoms in block 155
Block first atom: 1342
Blocpdb> 5 atoms in block 156
Block first atom: 1350
Blocpdb> 9 atoms in block 157
Block first atom: 1355
Blocpdb> 9 atoms in block 158
Block first atom: 1364
Blocpdb> 12 atoms in block 159
Block first atom: 1373
Blocpdb> 6 atoms in block 160
Block first atom: 1385
Blocpdb> 5 atoms in block 161
Block first atom: 1391
Blocpdb> 10 atoms in block 162
Block first atom: 1396
Blocpdb> 8 atoms in block 163
Block first atom: 1406
Blocpdb> 7 atoms in block 164
Block first atom: 1414
Blocpdb> 9 atoms in block 165
Block first atom: 1421
Blocpdb> 7 atoms in block 166
Block first atom: 1430
Blocpdb> 5 atoms in block 167
Block first atom: 1436
Blocpdb> 167 blocks.
Blocpdb> At most, 15 atoms in each of them.
Blocpdb> At least, 5 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> 599477 matrix lines read.
Prepmat> Matrix order = 4323
Prepmat> Matrix trace = 1312820.0000
Prepmat> Last element read: 4323 4323 153.2315
Prepmat> 14029 lines saved.
Prepmat> 11796 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: 1441
RTB> Total mass = 1441.0000
RTB> Number of atoms found in matrix: 1441
RTB> Number of blocks = 167
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 276497.7783
RTB> 77847 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 = 1002
Diagstd> Nb of non-zero elements: 77847
Diagstd> Projected matrix trace = 276497.7783
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1002 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 276497.7783
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.6261683 1.8792113 2.5807441 4.2767827
5.1911183 7.4942574 8.8107015 9.2729457 9.9767842
11.7754020 12.6124055 14.0569447 14.4395384 15.2806080
15.7078213 16.6719489 17.6587641 19.7000994 20.8123590
21.3781804 22.9932522 24.1717367 25.5264349 26.3457453
28.6719802 30.5996014 31.0189446 32.5170191 33.7951447
34.4813593 34.8279818 35.4552982 37.9305859 38.9268478
40.2117219 41.5628608 42.1517974 42.5466690 43.1877979
44.5406990 45.6508062 46.1307745 46.3475002 47.5178393
48.1155333 49.2179597 51.9620739 52.6176887 53.1764877
53.7891181 54.9719304 55.3410876 56.8478223 57.2957357
58.2620624 59.6904983 60.2272060 60.8913004 61.4145846
62.6461217 62.9057279 64.1021126 64.6084058 66.0433799
66.7275518 68.1987321 69.0354721 69.6272051 70.1321080
72.0292780 72.8538743 73.1876042 74.0566835 75.4854645
76.4796589 76.8695601 77.3967035 77.7354032 78.4229147
78.9546737 80.9564511 82.3748958 82.9337006 84.1020587
85.0468084 85.3345274 86.6530664 87.5088201 88.1632029
88.8856037 90.0943143 90.7352455 91.3198607 92.4119540
93.4047742 93.6988443 95.1149434 95.9466660 97.0551950
97.5458943
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034324 0.0034338 0.0034340 0.0034347 0.0034356
0.0034373 138.4771197 148.8617389 174.4487053 224.5711032
247.4148392 297.2758183 322.3298478 330.6771137 342.9971959
372.6345777 385.6508052 407.1371657 412.6405800 424.4881759
430.3811641 443.3926252 456.3262298 481.9805238 495.3999230
502.0889331 520.7094770 533.8868299 548.6436572 557.3789004
581.4657310 600.6938216 604.7958306 619.2280816 631.2805884
637.6574956 640.8544951 646.6002251 668.7904395 677.5165348
688.6072886 700.0805255 705.0230720 708.3176481 713.6344553
724.7259202 733.7016672 737.5486173 739.2791156 748.5548396
753.2479044 761.8282679 782.7778323 787.7005773 791.8722149
796.4206133 805.1295644 807.8284152 818.7516660 821.9708767
828.8734090 838.9728027 842.7361783 847.3696496 851.0028989
859.4930617 861.2720946 869.4236537 872.8503551 882.4902702
887.0495414 896.7748719 902.2594301 906.1180078 909.3974391
921.6155867 926.8759345 928.9964311 934.4959204 943.4675039
949.6602308 952.0778863 955.3368107 957.4248778 961.6494112
964.9042109 977.0594984 985.5819005 988.9191857 995.8606995
1001.4385153 1003.1310514 1010.8512401 1015.8303742 1019.6214423
1023.7902601 1030.7277588 1034.3875616 1037.7145363 1043.9011040
1049.4936559 1051.1444396 1059.0577853 1063.6781166 1069.8051237
1072.5061166
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1441
Rtb_to_modes> Number of blocs = 167
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: 9.9912E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9989E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0010E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0020E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.626
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.879
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.581
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.277
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.191
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 7.494
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 8.811
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 9.273
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 9.977
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 11.78
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 12.61
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 14.06
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 14.44
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 15.28
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 15.71
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 16.67
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 17.66
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 19.70
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 20.81
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 21.38
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 22.99
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 24.17
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 25.53
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 26.35
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 28.67
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 30.60
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 31.02
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 32.52
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 33.80
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 34.48
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 34.83
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 35.46
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 37.93
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 38.93
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 40.21
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 41.56
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 42.15
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 42.55
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 43.19
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 44.54
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 45.65
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 46.13
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 46.35
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 47.52
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 48.12
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 49.22
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 51.96
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 52.62
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 53.18
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 53.79
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 54.97
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 55.34
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 56.85
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 57.30
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 58.26
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 59.69
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 60.23
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 60.89
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 61.41
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 62.65
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 62.91
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 64.10
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 64.61
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 66.04
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 66.73
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 68.20
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 69.04
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 69.63
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 70.13
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 72.03
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 72.85
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 73.19
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 74.06
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 75.49
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 76.48
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 76.87
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 77.40
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 77.74
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 78.42
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 78.95
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 80.96
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 82.37
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 82.93
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 84.10
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 85.05
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 85.33
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 86.65
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 87.51
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 88.16
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 88.89
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 90.09
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 90.74
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 91.32
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 92.41
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 93.40
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 93.70
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 95.11
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 95.95
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 97.06
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 97.55
Rtb_to_modes> 106 vectors, with 1002 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 0.99999 1.00000 1.00001 1.00000
0.99999 1.00002 1.00000 1.00001 1.00000
1.00002 1.00001 0.99995 1.00001 0.99995
1.00002 1.00002 1.00007 1.00000 0.99999
0.99999 1.00000 1.00001 1.00000 0.99998
1.00004 0.99999 1.00002 0.99998 0.99999
1.00001 1.00002 1.00001 1.00002 1.00001
1.00001 1.00002 0.99998 1.00000 1.00000
1.00000 1.00000 1.00001 1.00001 1.00000
1.00003 0.99999 0.99998 0.99999 1.00002
0.99999 1.00000 0.99998 1.00002 1.00001
1.00000 1.00004 1.00001 1.00000 0.99999
1.00001 0.99996 0.99998 0.99999 0.99998
1.00003 0.99998 0.99998 1.00001 1.00001
1.00001 0.99999 1.00001 1.00000 1.00002
1.00000 1.00000 1.00000 1.00000 1.00001
0.99998 1.00001 0.99999 1.00000 0.99998
1.00001 1.00001 1.00000 1.00005 1.00001
1.00000 1.00000 0.99998 1.00000 1.00003
1.00001 0.99999 0.99999 1.00001 1.00001
0.99998 0.99999 1.00001 0.99999 1.00000
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 25938 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 0.99999 1.00000 1.00001 1.00000
0.99999 1.00002 1.00000 1.00001 1.00000
1.00002 1.00001 0.99995 1.00001 0.99995
1.00002 1.00002 1.00007 1.00000 0.99999
0.99999 1.00000 1.00001 1.00000 0.99998
1.00004 0.99999 1.00002 0.99998 0.99999
1.00001 1.00002 1.00001 1.00002 1.00001
1.00001 1.00002 0.99998 1.00000 1.00000
1.00000 1.00000 1.00001 1.00001 1.00000
1.00003 0.99999 0.99998 0.99999 1.00002
0.99999 1.00000 0.99998 1.00002 1.00001
1.00000 1.00004 1.00001 1.00000 0.99999
1.00001 0.99996 0.99998 0.99999 0.99998
1.00003 0.99998 0.99998 1.00001 1.00001
1.00001 0.99999 1.00001 1.00000 1.00002
1.00000 1.00000 1.00000 1.00000 1.00001
0.99998 1.00001 0.99999 1.00000 0.99998
1.00001 1.00001 1.00000 1.00005 1.00001
1.00000 1.00000 0.99998 1.00000 1.00003
1.00001 0.99999 0.99999 1.00001 1.00001
0.99998 0.99999 1.00001 0.99999 1.00000
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000 0.000
Vector 4: 0.000-0.000 0.000
Vector 5:-0.000 0.000-0.000-0.000
Vector 6: 0.000 0.000 0.000 0.000 0.000
Vector 7:-0.000 0.000 0.000-0.000-0.000-0.000
Vector 8:-0.000-0.000 0.000-0.000 0.000 0.000-0.000
Vector 9: 0.000 0.000-0.000-0.000 0.000-0.000 0.000 0.000
Vector 10:-0.000 0.000-0.000-0.000 0.000-0.000-0.000 0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 24010712442953335.eigenfacs
Openam> file on opening on unit 10:
24010712442953335.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 24010712442953335.atom
Openam> file on opening on unit 11:
24010712442953335.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 = 167
First residue number = 1
Last residue number = 167
Number of atoms found = 1441
Mean number per residue = 8.6
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9912E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9989E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0010E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0020E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.626
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.879
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.581
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.191
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 7.494
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 8.811
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 9.273
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 9.977
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 11.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 12.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 14.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 14.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 15.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 15.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 16.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 17.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 19.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 20.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 21.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 22.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 24.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 25.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 26.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 28.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 30.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 31.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 32.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 33.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 34.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 34.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 35.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 37.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 38.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 40.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 41.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 42.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 42.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 43.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 44.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 45.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 46.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 46.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 47.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 48.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 49.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 51.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 52.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 53.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 53.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 54.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 55.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 56.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 57.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 58.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 59.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 60.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 60.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 61.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 62.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 62.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 64.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 64.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 66.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 66.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 68.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 69.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 69.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 70.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 72.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 72.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 73.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 74.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 75.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 76.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 76.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 77.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 77.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 78.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 78.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 80.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 82.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 82.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 84.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 85.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 85.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 86.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 87.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 88.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 88.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 90.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 90.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 91.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 92.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 93.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 93.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 95.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 95.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 97.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 97.55
Bfactors> 106 vectors, 4323 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 1.626000
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.039 +/- 0.06
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.039
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 24010712442953335 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-80
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-60
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-40
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-20
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=0
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=20
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=40
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=60
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=80
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=100
24010712442953335.eigenfacs
24010712442953335.atom
making animated gifs
11 models are in 24010712442953335.7.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 24010712442953335.7.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 24010712442953335.7.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 24010712442953335 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-80
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-60
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-40
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-20
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=0
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=20
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=40
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=60
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=80
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=100
24010712442953335.eigenfacs
24010712442953335.atom
making animated gifs
11 models are in 24010712442953335.8.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 24010712442953335.8.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 24010712442953335.8.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 24010712442953335 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-80
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-60
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-40
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-20
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=0
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=20
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=40
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=60
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=80
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=100
24010712442953335.eigenfacs
24010712442953335.atom
making animated gifs
11 models are in 24010712442953335.9.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 24010712442953335.9.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 24010712442953335.9.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 24010712442953335 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-80
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-60
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-40
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-20
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=0
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=20
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=40
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=60
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=80
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=100
24010712442953335.eigenfacs
24010712442953335.atom
making animated gifs
11 models are in 24010712442953335.10.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 24010712442953335.10.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 24010712442953335.10.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 24010712442953335 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-80
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-60
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-40
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=-20
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=0
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=20
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=40
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=60
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=80
24010712442953335.eigenfacs
24010712442953335.atom
calculating perturbed structure for DQ=100
24010712442953335.eigenfacs
24010712442953335.atom
making animated gifs
11 models are in 24010712442953335.11.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 24010712442953335.11.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 24010712442953335.11.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
24010712442953335.10.pdb
24010712442953335.11.pdb
24010712442953335.7.pdb
24010712442953335.8.pdb
24010712442953335.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m14.435s
user 0m14.410s
sys 0m0.024s
../../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: 24010712442953335.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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