*** DENV1 ***
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 = 240417045348833625.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 240417045348833625.atom to be opened.
Openam> File opened: 240417045348833625.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 = 788
First residue number = 1
Last residue number = 394
Number of atoms found = 6124
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= -12.650607 +/- 7.472729 From: -31.979000 To: 6.834000
= 68.995447 +/- 13.206251 From: 41.268000 To: 97.311000
= 24.439291 +/- 40.350888 From: -50.074000 To: 99.238000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 1.3236 % Filled.
Pdbmat> 2233923 non-zero elements.
Pdbmat> 244186 atom-atom interactions.
Pdbmat> Number per atom= 79.75 +/- 21.43
Maximum number = 130
Minimum number = 18
Pdbmat> Matrix trace = 4.883720E+06
Pdbmat> Larger element = 512.383
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
788 non-zero elements, NRBL set to 4
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 = 240417045348833625.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 4
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 240417045348833625.atom to be opened.
Openam> file on opening on unit 11:
240417045348833625.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 6124 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 4 residue(s) per block.
Blocpdb> 788 residues.
Blocpdb> 33 atoms in block 1
Block first atom: 1
Blocpdb> 26 atoms in block 2
Block first atom: 34
Blocpdb> 37 atoms in block 3
Block first atom: 60
Blocpdb> 26 atoms in block 4
Block first atom: 97
Blocpdb> 28 atoms in block 5
Block first atom: 123
Blocpdb> 30 atoms in block 6
Block first atom: 151
Blocpdb> 31 atoms in block 7
Block first atom: 181
Blocpdb> 26 atoms in block 8
Block first atom: 212
Blocpdb> 29 atoms in block 9
Block first atom: 238
Blocpdb> 31 atoms in block 10
Block first atom: 267
Blocpdb> 36 atoms in block 11
Block first atom: 298
Blocpdb> 32 atoms in block 12
Block first atom: 334
Blocpdb> 32 atoms in block 13
Block first atom: 366
Blocpdb> 27 atoms in block 14
Block first atom: 398
Blocpdb> 38 atoms in block 15
Block first atom: 425
Blocpdb> 31 atoms in block 16
Block first atom: 463
Blocpdb> 30 atoms in block 17
Block first atom: 494
Blocpdb> 29 atoms in block 18
Block first atom: 524
Blocpdb> 31 atoms in block 19
Block first atom: 553
Blocpdb> 29 atoms in block 20
Block first atom: 584
Blocpdb> 32 atoms in block 21
Block first atom: 613
Blocpdb> 35 atoms in block 22
Block first atom: 645
Blocpdb> 35 atoms in block 23
Block first atom: 680
Blocpdb> 33 atoms in block 24
Block first atom: 715
Blocpdb> 30 atoms in block 25
Block first atom: 748
Blocpdb> 30 atoms in block 26
Block first atom: 778
Blocpdb> 29 atoms in block 27
Block first atom: 808
Blocpdb> 21 atoms in block 28
Block first atom: 837
Blocpdb> 28 atoms in block 29
Block first atom: 858
Blocpdb> 31 atoms in block 30
Block first atom: 886
Blocpdb> 32 atoms in block 31
Block first atom: 917
Blocpdb> 30 atoms in block 32
Block first atom: 949
Blocpdb> 31 atoms in block 33
Block first atom: 979
Blocpdb> 34 atoms in block 34
Block first atom: 1010
Blocpdb> 33 atoms in block 35
Block first atom: 1044
Blocpdb> 32 atoms in block 36
Block first atom: 1077
Blocpdb> 28 atoms in block 37
Block first atom: 1109
Blocpdb> 26 atoms in block 38
Block first atom: 1137
Blocpdb> 27 atoms in block 39
Block first atom: 1163
Blocpdb> 32 atoms in block 40
Block first atom: 1190
Blocpdb> 33 atoms in block 41
Block first atom: 1222
Blocpdb> 29 atoms in block 42
Block first atom: 1255
Blocpdb> 30 atoms in block 43
Block first atom: 1284
Blocpdb> 29 atoms in block 44
Block first atom: 1314
Blocpdb> 27 atoms in block 45
Block first atom: 1343
Blocpdb> 31 atoms in block 46
Block first atom: 1370
Blocpdb> 30 atoms in block 47
Block first atom: 1401
Blocpdb> 27 atoms in block 48
Block first atom: 1431
Blocpdb> 36 atoms in block 49
Block first atom: 1458
Blocpdb> 32 atoms in block 50
Block first atom: 1494
Blocpdb> 34 atoms in block 51
Block first atom: 1526
Blocpdb> 34 atoms in block 52
Block first atom: 1560
Blocpdb> 44 atoms in block 53
Block first atom: 1594
Blocpdb> 35 atoms in block 54
Block first atom: 1638
Blocpdb> 36 atoms in block 55
Block first atom: 1673
Blocpdb> 24 atoms in block 56
Block first atom: 1709
Blocpdb> 28 atoms in block 57
Block first atom: 1733
Blocpdb> 36 atoms in block 58
Block first atom: 1761
Blocpdb> 34 atoms in block 59
Block first atom: 1797
Blocpdb> 33 atoms in block 60
Block first atom: 1831
Blocpdb> 34 atoms in block 61
Block first atom: 1864
Blocpdb> 32 atoms in block 62
Block first atom: 1898
Blocpdb> 29 atoms in block 63
Block first atom: 1930
Blocpdb> 27 atoms in block 64
Block first atom: 1959
Blocpdb> 26 atoms in block 65
Block first atom: 1986
Blocpdb> 30 atoms in block 66
Block first atom: 2012
Blocpdb> 23 atoms in block 67
Block first atom: 2042
Blocpdb> 34 atoms in block 68
Block first atom: 2065
Blocpdb> 24 atoms in block 69
Block first atom: 2099
Blocpdb> 34 atoms in block 70
Block first atom: 2123
Blocpdb> 31 atoms in block 71
Block first atom: 2157
Blocpdb> 36 atoms in block 72
Block first atom: 2188
Blocpdb> 33 atoms in block 73
Block first atom: 2224
Blocpdb> 30 atoms in block 74
Block first atom: 2257
Blocpdb> 32 atoms in block 75
Block first atom: 2287
Blocpdb> 25 atoms in block 76
Block first atom: 2319
Blocpdb> 36 atoms in block 77
Block first atom: 2344
Blocpdb> 33 atoms in block 78
Block first atom: 2380
Blocpdb> 30 atoms in block 79
Block first atom: 2413
Blocpdb> 29 atoms in block 80
Block first atom: 2443
Blocpdb> 33 atoms in block 81
Block first atom: 2472
Blocpdb> 34 atoms in block 82
Block first atom: 2505
Blocpdb> 25 atoms in block 83
Block first atom: 2539
Blocpdb> 30 atoms in block 84
Block first atom: 2564
Blocpdb> 36 atoms in block 85
Block first atom: 2594
Blocpdb> 34 atoms in block 86
Block first atom: 2630
Blocpdb> 36 atoms in block 87
Block first atom: 2664
Blocpdb> 31 atoms in block 88
Block first atom: 2700
Blocpdb> 29 atoms in block 89
Block first atom: 2731
Blocpdb> 31 atoms in block 90
Block first atom: 2760
Blocpdb> 30 atoms in block 91
Block first atom: 2791
Blocpdb> 32 atoms in block 92
Block first atom: 2821
Blocpdb> 28 atoms in block 93
Block first atom: 2853
Blocpdb> 29 atoms in block 94
Block first atom: 2881
Blocpdb> 36 atoms in block 95
Block first atom: 2910
Blocpdb> 27 atoms in block 96
Block first atom: 2946
Blocpdb> 30 atoms in block 97
Block first atom: 2973
Blocpdb> 41 atoms in block 98
Block first atom: 3003
Blocpdb> 19 atoms in block 99
Block first atom: 3044
Blocpdb> 33 atoms in block 100
Block first atom: 3063
Blocpdb> 26 atoms in block 101
Block first atom: 3096
Blocpdb> 37 atoms in block 102
Block first atom: 3122
Blocpdb> 26 atoms in block 103
Block first atom: 3159
Blocpdb> 28 atoms in block 104
Block first atom: 3185
Blocpdb> 30 atoms in block 105
Block first atom: 3213
Blocpdb> 31 atoms in block 106
Block first atom: 3243
Blocpdb> 26 atoms in block 107
Block first atom: 3274
Blocpdb> 29 atoms in block 108
Block first atom: 3300
Blocpdb> 31 atoms in block 109
Block first atom: 3329
Blocpdb> 36 atoms in block 110
Block first atom: 3360
Blocpdb> 32 atoms in block 111
Block first atom: 3396
Blocpdb> 32 atoms in block 112
Block first atom: 3428
Blocpdb> 27 atoms in block 113
Block first atom: 3460
Blocpdb> 38 atoms in block 114
Block first atom: 3487
Blocpdb> 31 atoms in block 115
Block first atom: 3525
Blocpdb> 30 atoms in block 116
Block first atom: 3556
Blocpdb> 29 atoms in block 117
Block first atom: 3586
Blocpdb> 31 atoms in block 118
Block first atom: 3615
Blocpdb> 29 atoms in block 119
Block first atom: 3646
Blocpdb> 32 atoms in block 120
Block first atom: 3675
Blocpdb> 35 atoms in block 121
Block first atom: 3707
Blocpdb> 35 atoms in block 122
Block first atom: 3742
Blocpdb> 33 atoms in block 123
Block first atom: 3777
Blocpdb> 30 atoms in block 124
Block first atom: 3810
Blocpdb> 30 atoms in block 125
Block first atom: 3840
Blocpdb> 29 atoms in block 126
Block first atom: 3870
Blocpdb> 21 atoms in block 127
Block first atom: 3899
Blocpdb> 28 atoms in block 128
Block first atom: 3920
Blocpdb> 31 atoms in block 129
Block first atom: 3948
Blocpdb> 32 atoms in block 130
Block first atom: 3979
Blocpdb> 30 atoms in block 131
Block first atom: 4011
Blocpdb> 31 atoms in block 132
Block first atom: 4041
Blocpdb> 34 atoms in block 133
Block first atom: 4072
Blocpdb> 33 atoms in block 134
Block first atom: 4106
Blocpdb> 32 atoms in block 135
Block first atom: 4139
Blocpdb> 28 atoms in block 136
Block first atom: 4171
Blocpdb> 26 atoms in block 137
Block first atom: 4199
Blocpdb> 27 atoms in block 138
Block first atom: 4225
Blocpdb> 32 atoms in block 139
Block first atom: 4252
Blocpdb> 33 atoms in block 140
Block first atom: 4284
Blocpdb> 29 atoms in block 141
Block first atom: 4317
Blocpdb> 30 atoms in block 142
Block first atom: 4346
Blocpdb> 29 atoms in block 143
Block first atom: 4376
Blocpdb> 27 atoms in block 144
Block first atom: 4405
Blocpdb> 31 atoms in block 145
Block first atom: 4432
Blocpdb> 30 atoms in block 146
Block first atom: 4463
Blocpdb> 27 atoms in block 147
Block first atom: 4493
Blocpdb> 36 atoms in block 148
Block first atom: 4520
Blocpdb> 32 atoms in block 149
Block first atom: 4556
Blocpdb> 34 atoms in block 150
Block first atom: 4588
Blocpdb> 34 atoms in block 151
Block first atom: 4622
Blocpdb> 44 atoms in block 152
Block first atom: 4656
Blocpdb> 35 atoms in block 153
Block first atom: 4700
Blocpdb> 36 atoms in block 154
Block first atom: 4735
Blocpdb> 24 atoms in block 155
Block first atom: 4771
Blocpdb> 28 atoms in block 156
Block first atom: 4795
Blocpdb> 36 atoms in block 157
Block first atom: 4823
Blocpdb> 34 atoms in block 158
Block first atom: 4859
Blocpdb> 33 atoms in block 159
Block first atom: 4893
Blocpdb> 34 atoms in block 160
Block first atom: 4926
Blocpdb> 32 atoms in block 161
Block first atom: 4960
Blocpdb> 29 atoms in block 162
Block first atom: 4992
Blocpdb> 27 atoms in block 163
Block first atom: 5021
Blocpdb> 26 atoms in block 164
Block first atom: 5048
Blocpdb> 30 atoms in block 165
Block first atom: 5074
Blocpdb> 23 atoms in block 166
Block first atom: 5104
Blocpdb> 34 atoms in block 167
Block first atom: 5127
Blocpdb> 24 atoms in block 168
Block first atom: 5161
Blocpdb> 34 atoms in block 169
Block first atom: 5185
Blocpdb> 31 atoms in block 170
Block first atom: 5219
Blocpdb> 36 atoms in block 171
Block first atom: 5250
Blocpdb> 33 atoms in block 172
Block first atom: 5286
Blocpdb> 30 atoms in block 173
Block first atom: 5319
Blocpdb> 32 atoms in block 174
Block first atom: 5349
Blocpdb> 25 atoms in block 175
Block first atom: 5381
Blocpdb> 36 atoms in block 176
Block first atom: 5406
Blocpdb> 33 atoms in block 177
Block first atom: 5442
Blocpdb> 30 atoms in block 178
Block first atom: 5475
Blocpdb> 29 atoms in block 179
Block first atom: 5505
Blocpdb> 33 atoms in block 180
Block first atom: 5534
Blocpdb> 34 atoms in block 181
Block first atom: 5567
Blocpdb> 25 atoms in block 182
Block first atom: 5601
Blocpdb> 30 atoms in block 183
Block first atom: 5626
Blocpdb> 36 atoms in block 184
Block first atom: 5656
Blocpdb> 34 atoms in block 185
Block first atom: 5692
Blocpdb> 36 atoms in block 186
Block first atom: 5726
Blocpdb> 31 atoms in block 187
Block first atom: 5762
Blocpdb> 29 atoms in block 188
Block first atom: 5793
Blocpdb> 31 atoms in block 189
Block first atom: 5822
Blocpdb> 30 atoms in block 190
Block first atom: 5853
Blocpdb> 32 atoms in block 191
Block first atom: 5883
Blocpdb> 28 atoms in block 192
Block first atom: 5915
Blocpdb> 29 atoms in block 193
Block first atom: 5943
Blocpdb> 36 atoms in block 194
Block first atom: 5972
Blocpdb> 27 atoms in block 195
Block first atom: 6008
Blocpdb> 30 atoms in block 196
Block first atom: 6035
Blocpdb> 41 atoms in block 197
Block first atom: 6065
Blocpdb> 19 atoms in block 198
Block first atom: 6105
Blocpdb> 198 blocks.
Blocpdb> At most, 44 atoms in each of them.
Blocpdb> At least, 19 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> 2234121 matrix lines read.
Prepmat> Matrix order = 18372
Prepmat> Matrix trace = 4883720.0000
Prepmat> Last element read: 18372 18372 186.4834
Prepmat> 19702 lines saved.
Prepmat> 17950 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: 6124
RTB> Total mass = 6124.0000
RTB> Number of atoms found in matrix: 6124
RTB> Number of blocks = 198
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 233147.4362
RTB> 60066 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 = 1188
Diagstd> Nb of non-zero elements: 60066
Diagstd> Projected matrix trace = 233147.4362
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1188 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 233147.4362
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 0.0815342 0.2092430 0.3321546 0.6062197
1.0467200 1.1634973 1.5937255 1.8673638 2.3189940
2.9995753 3.3255832 4.1109587 4.6592517 5.0340011
5.5535802 5.9288443 6.6287312 6.7906180 7.8091642
8.4741543 8.9892067 9.4960191 9.8441059 9.8827672
11.5064424 11.6487814 11.7969291 11.8785928 12.5923556
12.8402155 13.4007850 13.6929755 14.3321555 14.7906624
15.9202253 16.7678192 16.8695364 17.8752109 17.9082897
18.1550598 19.0829534 19.1832356 19.9386575 20.5824087
20.9703873 21.3705264 22.3095497 22.9521453 23.3330111
23.7836452 24.9791717 25.3752968 26.5231618 27.1656090
27.8593338 27.9665575 29.0784297 29.1048969 29.5848418
29.6692760 30.0284399 30.3070300 30.6793784 30.9333572
32.1615313 32.6339533 32.9505710 33.2668584 33.8514071
34.2779906 35.0209298 35.1969374 35.3098481 35.9008140
36.0977410 36.3226205 36.8901600 37.3054555 37.5847642
38.3172140 38.8872640 39.2444904 39.7072577 39.8962876
40.1342702 40.6495611 40.8046874 40.9445820 41.1005831
41.4602379 42.3264190 42.7205851 43.6630090 43.8467797
44.1209602 44.4663372 44.7989703 45.2383485 45.3346764
45.4376777
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034323 0.0034324 0.0034328 0.0034330 0.0034343
0.0034371 31.0073825 49.6730417 62.5843014 84.5493578
111.0991016 117.1326487 137.0888207 148.3917482 165.3655693
188.0724410 198.0291801 220.1744080 234.3977103 243.6418753
255.9067878 264.4114776 279.5828232 282.9762123 303.4572785
316.1138070 325.5786846 334.6309219 340.7088531 341.3772398
368.3543596 370.6256981 372.9750356 374.2637606 385.3441494
389.1181038 397.5212970 401.8317004 411.1033685 417.6275039
433.2812391 444.6656396 446.0123192 459.1143500 459.5389587
462.6942706 474.3709388 475.6157316 484.8900106 492.6555489
497.2771523 501.9990440 512.9094282 520.2438111 524.5424904
529.5835529 542.7305857 547.0170276 559.2524915 565.9851067
573.1662948 574.2682233 585.5726106 585.8390447 590.6495889
591.4918359 595.0612425 597.8152225 601.4763538 603.9608789
615.8339674 620.3404831 623.3425209 626.3270594 631.8058501
635.7742844 642.6272191 644.2400479 645.2725717 650.6499908
652.4320584 654.4611440 659.5542907 663.2564070 665.7347018
672.1903023 677.1719720 680.2751821 684.2742978 685.9011378
687.9438067 692.3460369 693.6658396 694.8539025 696.1763599
699.2157064 706.4819068 709.7638510 717.5499049 719.0583461
721.3030325 724.1206938 726.8240612 730.3796280 731.1568281
731.9869585
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 6124
Rtb_to_modes> Number of blocs = 198
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: 9.9902E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9906E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9933E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9943E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0019E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 8.1534E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.2092
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3322
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.6062
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.047
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.163
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.594
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.867
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.319
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 3.000
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 3.326
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 4.111
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 4.659
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 5.034
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 5.554
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 5.929
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 6.629
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 6.791
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 7.809
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 8.474
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 8.989
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 9.496
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 9.844
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 9.883
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 11.51
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 11.65
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 11.80
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 11.88
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 12.59
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 12.84
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 13.40
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 13.69
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 14.33
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 14.79
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 15.92
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 16.77
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 16.87
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 17.88
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 17.91
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 18.16
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 19.08
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 19.18
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 19.94
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 20.58
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 20.97
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 21.37
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 22.31
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 22.95
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 23.33
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 23.78
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 24.98
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 25.38
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 26.52
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 27.17
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 27.86
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 27.97
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 29.08
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 29.10
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 29.58
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 29.67
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 30.03
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 30.31
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 30.68
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 30.93
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 32.16
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 32.63
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 32.95
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 33.27
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 33.85
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 34.28
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 35.02
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 35.20
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 35.31
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 35.90
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 36.10
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 36.32
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 36.89
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 37.31
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 37.58
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 38.32
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 38.89
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 39.24
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 39.71
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 39.90
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 40.13
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 40.65
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 40.80
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 40.94
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 41.10
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 41.46
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 42.33
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 42.72
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 43.66
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 43.85
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 44.12
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 44.47
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 44.80
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 45.24
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 45.33
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 45.44
Rtb_to_modes> 106 vectors, with 1188 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99997 1.00000 1.00000 0.99999 1.00000
1.00000 1.00001 0.99999 1.00000 1.00000
0.99999 1.00000 1.00001 1.00002 1.00000
1.00000 0.99999 1.00000 1.00001 0.99999
0.99998 1.00000 0.99999 1.00001 1.00002
1.00002 1.00002 1.00001 0.99999 1.00000
0.99999 1.00001 1.00001 1.00000 1.00001
0.99999 0.99999 0.99999 0.99999 1.00001
0.99999 1.00001 0.99999 1.00000 1.00002
0.99998 1.00000 1.00000 1.00002 0.99999
1.00000 1.00001 1.00001 1.00000 0.99998
1.00000 0.99999 1.00000 1.00000 0.99999
1.00001 1.00001 1.00000 1.00000 1.00002
1.00001 1.00001 0.99999 1.00000 0.99999
0.99999 0.99998 0.99997 1.00002 1.00000
1.00001 1.00000 1.00000 0.99998 0.99999
1.00000 0.99998 1.00001 0.99999 1.00001
1.00000 1.00000 1.00000 0.99999 1.00000
0.99999 1.00000 1.00000 1.00002 1.00000
0.99998 1.00000 0.99999 1.00001 1.00000
1.00001 0.99999 1.00000 0.99999 1.00001
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 110232 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99997 1.00000 1.00000 0.99999 1.00000
1.00000 1.00001 0.99999 1.00000 1.00000
0.99999 1.00000 1.00001 1.00002 1.00000
1.00000 0.99999 1.00000 1.00001 0.99999
0.99998 1.00000 0.99999 1.00001 1.00002
1.00002 1.00002 1.00001 0.99999 1.00000
0.99999 1.00001 1.00001 1.00000 1.00001
0.99999 0.99999 0.99999 0.99999 1.00001
0.99999 1.00001 0.99999 1.00000 1.00002
0.99998 1.00000 1.00000 1.00002 0.99999
1.00000 1.00001 1.00001 1.00000 0.99998
1.00000 0.99999 1.00000 1.00000 0.99999
1.00001 1.00001 1.00000 1.00000 1.00002
1.00001 1.00001 0.99999 1.00000 0.99999
0.99999 0.99998 0.99997 1.00002 1.00000
1.00001 1.00000 1.00000 0.99998 0.99999
1.00000 0.99998 1.00001 0.99999 1.00001
1.00000 1.00000 1.00000 0.99999 1.00000
0.99999 1.00000 1.00000 1.00002 1.00000
0.99998 1.00000 0.99999 1.00001 1.00000
1.00001 0.99999 1.00000 0.99999 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> 240417045348833625.eigenfacs
Openam> file on opening on unit 10:
240417045348833625.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240417045348833625.atom
Openam> file on opening on unit 11:
240417045348833625.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 = 788
First residue number = 1
Last residue number = 394
Number of atoms found = 6124
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: 9.9902E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9906E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9933E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9943E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0019E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 8.1534E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2092
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3322
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6062
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.163
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.594
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.867
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.319
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 3.000
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 3.326
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 4.111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 4.659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 5.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 5.554
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 5.929
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 6.629
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 6.791
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 7.809
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 8.474
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 8.989
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 9.496
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 9.844
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 9.883
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 11.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 11.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 11.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 11.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 12.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 12.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 13.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 13.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 14.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 14.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 15.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 16.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 16.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 17.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 17.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 18.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 19.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 19.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 19.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 20.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 20.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 21.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 22.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 22.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 23.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 23.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 24.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 25.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 26.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 27.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 27.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 27.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 29.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 29.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 29.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 29.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 30.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 30.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 30.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 30.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 32.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 32.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 32.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 33.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 33.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 34.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 35.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 35.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 35.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 35.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 36.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 36.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 36.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 37.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 37.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 38.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 38.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 39.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 39.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 39.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 40.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 40.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 40.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 40.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 41.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 41.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 42.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 42.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 43.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 43.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 44.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 44.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 44.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 45.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 45.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 45.44
Bfactors> 106 vectors, 18372 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 : 0.081534
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= 0.232 for 788 C-alpha atoms.
Bfactors> = 0.075 +/- 0.04
Bfactors> = 73.565 +/- 27.02
Bfactors> Shiftng-fct= 73.490
Bfactors> Scaling-fct= 612.548
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240417045348833625 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-80
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-60
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-40
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-20
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=0
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=20
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=40
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=60
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=80
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=100
240417045348833625.eigenfacs
240417045348833625.atom
making animated gifs
11 models are in 240417045348833625.7.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 240417045348833625.7.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 240417045348833625.7.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 240417045348833625 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-80
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-60
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-40
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-20
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=0
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=20
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=40
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=60
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=80
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=100
240417045348833625.eigenfacs
240417045348833625.atom
making animated gifs
11 models are in 240417045348833625.8.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 240417045348833625.8.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 240417045348833625.8.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 240417045348833625 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-80
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-60
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-40
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-20
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=0
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=20
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=40
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=60
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=80
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=100
240417045348833625.eigenfacs
240417045348833625.atom
making animated gifs
11 models are in 240417045348833625.9.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 240417045348833625.9.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 240417045348833625.9.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 240417045348833625 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-80
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-60
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-40
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-20
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=0
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=20
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=40
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=60
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=80
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=100
240417045348833625.eigenfacs
240417045348833625.atom
making animated gifs
11 models are in 240417045348833625.10.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 240417045348833625.10.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 240417045348833625.10.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 240417045348833625 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-80
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-60
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-40
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=-20
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=0
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=20
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=40
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=60
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=80
240417045348833625.eigenfacs
240417045348833625.atom
calculating perturbed structure for DQ=100
240417045348833625.eigenfacs
240417045348833625.atom
making animated gifs
11 models are in 240417045348833625.11.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 240417045348833625.11.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 240417045348833625.11.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
240417045348833625.10.pdb
240417045348833625.11.pdb
240417045348833625.7.pdb
240417045348833625.8.pdb
240417045348833625.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m34.185s
user 0m34.088s
sys 0m0.096s
../../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: 240417045348833625.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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