*** traf ***
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 = 240513094515940626.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 240513094515940626.atom to be opened.
Openam> File opened: 240513094515940626.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 = 732
First residue number = 1
Last residue number = 244
Number of atoms found = 5799
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= 0.302026 +/- 14.704788 From: -35.969000 To: 39.250000
= -7.732275 +/- 35.049725 From: -105.938000 To: 38.406000
= -3.725702 +/- 20.930460 From: -55.312000 To: 40.156000
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 1.3709 % Filled.
Pdbmat> 2074657 non-zero elements.
Pdbmat> 227124 atom-atom interactions.
Pdbmat> Number per atom= 78.33 +/- 21.54
Maximum number = 128
Minimum number = 13
Pdbmat> Matrix trace = 4.542480E+06
Pdbmat> Larger element = 526.842
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
732 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 = 240513094515940626.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 240513094515940626.atom to be opened.
Openam> file on opening on unit 11:
240513094515940626.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5799 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> 732 residues.
Blocpdb> 31 atoms in block 1
Block first atom: 1
Blocpdb> 34 atoms in block 2
Block first atom: 32
Blocpdb> 32 atoms in block 3
Block first atom: 66
Blocpdb> 30 atoms in block 4
Block first atom: 98
Blocpdb> 35 atoms in block 5
Block first atom: 128
Blocpdb> 28 atoms in block 6
Block first atom: 163
Blocpdb> 36 atoms in block 7
Block first atom: 191
Blocpdb> 34 atoms in block 8
Block first atom: 227
Blocpdb> 25 atoms in block 9
Block first atom: 261
Blocpdb> 26 atoms in block 10
Block first atom: 286
Blocpdb> 41 atoms in block 11
Block first atom: 312
Blocpdb> 33 atoms in block 12
Block first atom: 353
Blocpdb> 31 atoms in block 13
Block first atom: 386
Blocpdb> 29 atoms in block 14
Block first atom: 417
Blocpdb> 33 atoms in block 15
Block first atom: 446
Blocpdb> 34 atoms in block 16
Block first atom: 479
Blocpdb> 29 atoms in block 17
Block first atom: 513
Blocpdb> 26 atoms in block 18
Block first atom: 542
Blocpdb> 34 atoms in block 19
Block first atom: 568
Blocpdb> 33 atoms in block 20
Block first atom: 602
Blocpdb> 28 atoms in block 21
Block first atom: 635
Blocpdb> 31 atoms in block 22
Block first atom: 663
Blocpdb> 40 atoms in block 23
Block first atom: 694
Blocpdb> 31 atoms in block 24
Block first atom: 734
Blocpdb> 36 atoms in block 25
Block first atom: 765
Blocpdb> 34 atoms in block 26
Block first atom: 801
Blocpdb> 27 atoms in block 27
Block first atom: 835
Blocpdb> 28 atoms in block 28
Block first atom: 862
Blocpdb> 29 atoms in block 29
Block first atom: 890
Blocpdb> 36 atoms in block 30
Block first atom: 919
Blocpdb> 39 atoms in block 31
Block first atom: 955
Blocpdb> 31 atoms in block 32
Block first atom: 994
Blocpdb> 39 atoms in block 33
Block first atom: 1025
Blocpdb> 24 atoms in block 34
Block first atom: 1064
Blocpdb> 26 atoms in block 35
Block first atom: 1088
Blocpdb> 31 atoms in block 36
Block first atom: 1114
Blocpdb> 37 atoms in block 37
Block first atom: 1145
Blocpdb> 28 atoms in block 38
Block first atom: 1182
Blocpdb> 28 atoms in block 39
Block first atom: 1210
Blocpdb> 41 atoms in block 40
Block first atom: 1238
Blocpdb> 35 atoms in block 41
Block first atom: 1279
Blocpdb> 31 atoms in block 42
Block first atom: 1314
Blocpdb> 32 atoms in block 43
Block first atom: 1345
Blocpdb> 36 atoms in block 44
Block first atom: 1377
Blocpdb> 34 atoms in block 45
Block first atom: 1413
Blocpdb> 35 atoms in block 46
Block first atom: 1447
Blocpdb> 29 atoms in block 47
Block first atom: 1482
Blocpdb> 29 atoms in block 48
Block first atom: 1511
Blocpdb> 34 atoms in block 49
Block first atom: 1540
Blocpdb> 32 atoms in block 50
Block first atom: 1574
Blocpdb> 23 atoms in block 51
Block first atom: 1606
Blocpdb> 32 atoms in block 52
Block first atom: 1629
Blocpdb> 26 atoms in block 53
Block first atom: 1661
Blocpdb> 31 atoms in block 54
Block first atom: 1687
Blocpdb> 35 atoms in block 55
Block first atom: 1718
Blocpdb> 34 atoms in block 56
Block first atom: 1753
Blocpdb> 32 atoms in block 57
Block first atom: 1787
Blocpdb> 29 atoms in block 58
Block first atom: 1819
Blocpdb> 27 atoms in block 59
Block first atom: 1848
Blocpdb> 30 atoms in block 60
Block first atom: 1875
Blocpdb> 29 atoms in block 61
Block first atom: 1905
Blocpdb> 31 atoms in block 62
Block first atom: 1934
Blocpdb> 34 atoms in block 63
Block first atom: 1965
Blocpdb> 32 atoms in block 64
Block first atom: 1999
Blocpdb> 30 atoms in block 65
Block first atom: 2031
Blocpdb> 35 atoms in block 66
Block first atom: 2061
Blocpdb> 28 atoms in block 67
Block first atom: 2096
Blocpdb> 36 atoms in block 68
Block first atom: 2124
Blocpdb> 34 atoms in block 69
Block first atom: 2160
Blocpdb> 25 atoms in block 70
Block first atom: 2194
Blocpdb> 26 atoms in block 71
Block first atom: 2219
Blocpdb> 41 atoms in block 72
Block first atom: 2245
Blocpdb> 33 atoms in block 73
Block first atom: 2286
Blocpdb> 31 atoms in block 74
Block first atom: 2319
Blocpdb> 29 atoms in block 75
Block first atom: 2350
Blocpdb> 33 atoms in block 76
Block first atom: 2379
Blocpdb> 34 atoms in block 77
Block first atom: 2412
Blocpdb> 29 atoms in block 78
Block first atom: 2446
Blocpdb> 26 atoms in block 79
Block first atom: 2475
Blocpdb> 34 atoms in block 80
Block first atom: 2501
Blocpdb> 33 atoms in block 81
Block first atom: 2535
Blocpdb> 28 atoms in block 82
Block first atom: 2568
Blocpdb> 31 atoms in block 83
Block first atom: 2596
Blocpdb> 40 atoms in block 84
Block first atom: 2627
Blocpdb> 31 atoms in block 85
Block first atom: 2667
Blocpdb> 36 atoms in block 86
Block first atom: 2698
Blocpdb> 34 atoms in block 87
Block first atom: 2734
Blocpdb> 27 atoms in block 88
Block first atom: 2768
Blocpdb> 28 atoms in block 89
Block first atom: 2795
Blocpdb> 29 atoms in block 90
Block first atom: 2823
Blocpdb> 36 atoms in block 91
Block first atom: 2852
Blocpdb> 39 atoms in block 92
Block first atom: 2888
Blocpdb> 31 atoms in block 93
Block first atom: 2927
Blocpdb> 39 atoms in block 94
Block first atom: 2958
Blocpdb> 24 atoms in block 95
Block first atom: 2997
Blocpdb> 26 atoms in block 96
Block first atom: 3021
Blocpdb> 31 atoms in block 97
Block first atom: 3047
Blocpdb> 37 atoms in block 98
Block first atom: 3078
Blocpdb> 28 atoms in block 99
Block first atom: 3115
Blocpdb> 28 atoms in block 100
Block first atom: 3143
Blocpdb> 41 atoms in block 101
Block first atom: 3171
Blocpdb> 35 atoms in block 102
Block first atom: 3212
Blocpdb> 31 atoms in block 103
Block first atom: 3247
Blocpdb> 32 atoms in block 104
Block first atom: 3278
Blocpdb> 36 atoms in block 105
Block first atom: 3310
Blocpdb> 34 atoms in block 106
Block first atom: 3346
Blocpdb> 35 atoms in block 107
Block first atom: 3380
Blocpdb> 29 atoms in block 108
Block first atom: 3415
Blocpdb> 29 atoms in block 109
Block first atom: 3444
Blocpdb> 34 atoms in block 110
Block first atom: 3473
Blocpdb> 32 atoms in block 111
Block first atom: 3507
Blocpdb> 23 atoms in block 112
Block first atom: 3539
Blocpdb> 32 atoms in block 113
Block first atom: 3562
Blocpdb> 26 atoms in block 114
Block first atom: 3594
Blocpdb> 31 atoms in block 115
Block first atom: 3620
Blocpdb> 35 atoms in block 116
Block first atom: 3651
Blocpdb> 34 atoms in block 117
Block first atom: 3686
Blocpdb> 32 atoms in block 118
Block first atom: 3720
Blocpdb> 29 atoms in block 119
Block first atom: 3752
Blocpdb> 27 atoms in block 120
Block first atom: 3781
Blocpdb> 30 atoms in block 121
Block first atom: 3808
Blocpdb> 29 atoms in block 122
Block first atom: 3838
Blocpdb> 31 atoms in block 123
Block first atom: 3867
Blocpdb> 34 atoms in block 124
Block first atom: 3898
Blocpdb> 32 atoms in block 125
Block first atom: 3932
Blocpdb> 30 atoms in block 126
Block first atom: 3964
Blocpdb> 35 atoms in block 127
Block first atom: 3994
Blocpdb> 28 atoms in block 128
Block first atom: 4029
Blocpdb> 36 atoms in block 129
Block first atom: 4057
Blocpdb> 34 atoms in block 130
Block first atom: 4093
Blocpdb> 25 atoms in block 131
Block first atom: 4127
Blocpdb> 26 atoms in block 132
Block first atom: 4152
Blocpdb> 41 atoms in block 133
Block first atom: 4178
Blocpdb> 33 atoms in block 134
Block first atom: 4219
Blocpdb> 31 atoms in block 135
Block first atom: 4252
Blocpdb> 29 atoms in block 136
Block first atom: 4283
Blocpdb> 33 atoms in block 137
Block first atom: 4312
Blocpdb> 34 atoms in block 138
Block first atom: 4345
Blocpdb> 29 atoms in block 139
Block first atom: 4379
Blocpdb> 26 atoms in block 140
Block first atom: 4408
Blocpdb> 34 atoms in block 141
Block first atom: 4434
Blocpdb> 33 atoms in block 142
Block first atom: 4468
Blocpdb> 28 atoms in block 143
Block first atom: 4501
Blocpdb> 31 atoms in block 144
Block first atom: 4529
Blocpdb> 40 atoms in block 145
Block first atom: 4560
Blocpdb> 31 atoms in block 146
Block first atom: 4600
Blocpdb> 36 atoms in block 147
Block first atom: 4631
Blocpdb> 34 atoms in block 148
Block first atom: 4667
Blocpdb> 27 atoms in block 149
Block first atom: 4701
Blocpdb> 28 atoms in block 150
Block first atom: 4728
Blocpdb> 29 atoms in block 151
Block first atom: 4756
Blocpdb> 36 atoms in block 152
Block first atom: 4785
Blocpdb> 39 atoms in block 153
Block first atom: 4821
Blocpdb> 31 atoms in block 154
Block first atom: 4860
Blocpdb> 39 atoms in block 155
Block first atom: 4891
Blocpdb> 24 atoms in block 156
Block first atom: 4930
Blocpdb> 26 atoms in block 157
Block first atom: 4954
Blocpdb> 31 atoms in block 158
Block first atom: 4980
Blocpdb> 37 atoms in block 159
Block first atom: 5011
Blocpdb> 28 atoms in block 160
Block first atom: 5048
Blocpdb> 28 atoms in block 161
Block first atom: 5076
Blocpdb> 41 atoms in block 162
Block first atom: 5104
Blocpdb> 35 atoms in block 163
Block first atom: 5145
Blocpdb> 31 atoms in block 164
Block first atom: 5180
Blocpdb> 32 atoms in block 165
Block first atom: 5211
Blocpdb> 36 atoms in block 166
Block first atom: 5243
Blocpdb> 34 atoms in block 167
Block first atom: 5279
Blocpdb> 35 atoms in block 168
Block first atom: 5313
Blocpdb> 29 atoms in block 169
Block first atom: 5348
Blocpdb> 29 atoms in block 170
Block first atom: 5377
Blocpdb> 34 atoms in block 171
Block first atom: 5406
Blocpdb> 32 atoms in block 172
Block first atom: 5440
Blocpdb> 23 atoms in block 173
Block first atom: 5472
Blocpdb> 32 atoms in block 174
Block first atom: 5495
Blocpdb> 26 atoms in block 175
Block first atom: 5527
Blocpdb> 31 atoms in block 176
Block first atom: 5553
Blocpdb> 35 atoms in block 177
Block first atom: 5584
Blocpdb> 34 atoms in block 178
Block first atom: 5619
Blocpdb> 32 atoms in block 179
Block first atom: 5653
Blocpdb> 29 atoms in block 180
Block first atom: 5685
Blocpdb> 27 atoms in block 181
Block first atom: 5714
Blocpdb> 30 atoms in block 182
Block first atom: 5741
Blocpdb> 29 atoms in block 183
Block first atom: 5770
Blocpdb> 183 blocks.
Blocpdb> At most, 41 atoms in each of them.
Blocpdb> At least, 23 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> 2074840 matrix lines read.
Prepmat> Matrix order = 17397
Prepmat> Matrix trace = 4542480.0000
Prepmat> Last element read: 17397 17397 114.2347
Prepmat> 16837 lines saved.
Prepmat> 15299 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: 5799
RTB> Total mass = 5799.0000
RTB> Number of atoms found in matrix: 5799
RTB> Number of blocks = 183
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 204128.2752
RTB> 52587 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 = 1098
Diagstd> Nb of non-zero elements: 52587
Diagstd> Projected matrix trace = 204128.2752
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1098 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 204128.2752
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 0.0290862 0.0291072 0.1375699 0.2007387
0.2012322 0.6968177 0.9426698 0.9448267 1.1422502
1.1543490 1.2821529 1.8229176 2.9989165 3.0023433
3.7360885 4.0044000 4.4216715 4.4557688 4.9886132
5.0071206 5.2680097 6.0145245 6.0543782 7.2924175
7.3260846 7.3931848 8.0898341 8.2230590 10.1599489
10.2111882 10.8812871 11.1297997 11.1565339 12.1266893
14.4269145 14.4887293 15.2192256 15.8492035 15.8722922
15.9493246 17.1048509 17.1771738 17.3974015 18.4163460
19.2667748 19.5222770 20.3798265 20.9699439 21.0187310
22.3389537 22.3561616 22.7809901 24.6246078 24.6406831
24.6745695 25.0844278 25.6374080 26.2824325 27.0793367
27.2623481 27.7694558 28.0256060 28.4308961 28.5255265
28.8748468 29.3153585 29.4568771 29.6292346 29.7589229
31.8881497 31.9270861 32.6902937 32.7332041 33.2702517
34.3163226 34.4656239 34.9739419 35.0993553 35.2889064
37.3788287 37.4295387 38.2558262 38.3410465 38.8934935
39.1334270 39.1531860 39.2686221 39.5113931 39.6487978
40.0271492 40.4503813 40.5467010 41.6237140 42.6223338
42.7886174 42.8651267 42.9374511 43.4091776 43.6202724
43.8916513
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034323 0.0034329 0.0034334 0.0034342 0.0034344
0.0034352 18.5199168 18.5265776 40.2769861 48.6531404
48.7128997 90.6472970 105.4326369 105.5531891 116.0582204
116.6712510 122.9603799 146.6151333 188.0517880 188.1591991
209.8958531 217.3021411 228.3434283 229.2221619 242.5410189
242.9905074 249.2404708 266.3151835 267.1960626 293.2452879
293.9214251 295.2643825 308.8624332 311.3952496 346.1314340
347.0031521 358.2081108 362.2754918 362.7103298 378.1520030
412.4601630 413.3428499 423.6347307 432.3137032 432.6284795
433.6770387 449.1122768 450.0607451 452.9366607 466.0119071
476.6502129 479.8003003 490.2250751 497.2718949 497.8500171
513.2473242 513.4449662 518.3004404 538.8649566 539.0408174
539.4113402 543.8728504 549.8349441 556.7087648 565.0856668
566.9919723 572.2409917 574.8741579 579.0159857 579.9787947
583.5191647 587.9533719 589.3708221 591.0925649 592.3847697
613.2110048 613.5852659 620.8757415 621.2830988 626.3590022
636.1296683 637.5119833 642.1959644 643.3463625 645.0811930
663.9083398 664.3585334 671.6516304 672.3993137 677.2262096
679.3118979 679.4833730 680.4843026 682.5845464 683.7703929
687.0251097 690.6477324 691.4695222 700.5928401 708.9472029
710.3287738 710.9635511 711.5630861 715.4611547 717.1986557
719.4261842
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5799
Rtb_to_modes> Number of blocs = 183
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: 9.9936E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9965E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.9086E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.9107E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.1376
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.2007
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.2012
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.6968
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.9427
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.9448
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 1.142
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.154
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.282
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 1.823
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 2.999
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 3.002
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 3.736
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 4.004
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 4.422
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 4.456
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 4.989
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 5.007
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 5.268
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 6.015
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 6.054
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 7.292
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 7.326
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 7.393
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 8.090
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 8.223
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 10.16
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 10.21
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 10.88
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 11.13
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 11.16
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 12.13
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 14.43
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 14.49
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 15.22
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 15.85
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 15.87
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 15.95
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 17.10
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 17.18
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 17.40
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 18.42
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 19.27
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 19.52
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 20.38
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 20.97
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 21.02
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 22.34
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 22.36
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 22.78
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 24.62
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 24.64
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 24.67
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 25.08
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 25.64
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 26.28
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 27.08
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 27.26
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 27.77
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 28.03
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 28.43
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 28.53
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 28.87
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 29.32
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 29.46
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 29.63
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 29.76
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 31.89
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 31.93
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 32.69
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 32.73
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 33.27
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 34.32
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 34.47
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 34.97
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 35.10
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 35.29
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 37.38
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 37.43
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 38.26
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 38.34
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 38.89
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 39.13
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 39.15
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 39.27
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 39.51
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 39.65
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 40.03
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 40.45
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 40.55
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 41.62
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 42.62
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 42.79
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 42.87
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 42.94
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 43.41
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 43.62
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 43.89
Rtb_to_modes> 106 vectors, with 1098 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 0.99999 0.99999
1.00000 0.99999 0.99999 1.00000 1.00001
0.99997 1.00003 1.00000 1.00002 1.00001
1.00000 0.99999 0.99999 1.00003 1.00001
1.00001 1.00001 1.00001 1.00000 0.99998
1.00000 1.00000 1.00001 1.00001 1.00001
1.00000 1.00000 0.99998 0.99999 0.99998
1.00002 1.00001 1.00001 1.00002 0.99999
0.99998 0.99998 1.00000 1.00000 1.00000
1.00000 1.00002 1.00000 0.99999 1.00000
0.99998 1.00000 1.00002 0.99999 0.99999
1.00000 1.00000 1.00000 0.99997 1.00001
1.00004 0.99999 0.99998 1.00001 1.00004
1.00002 0.99998 0.99999 0.99999 1.00000
1.00002 0.99999 1.00000 1.00004 1.00000
0.99998 0.99999 0.99999 0.99999 1.00000
1.00002 0.99999 0.99999 1.00000 1.00002
0.99999 0.99998 1.00001 1.00003 1.00000
0.99999 0.99997 1.00000 0.99999 0.99997
0.99996 1.00001 1.00001 0.99998 0.99999
0.99999 0.99997 1.00000 1.00000 1.00000
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 104382 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 0.99999 0.99999
1.00000 0.99999 0.99999 1.00000 1.00001
0.99997 1.00003 1.00000 1.00002 1.00001
1.00000 0.99999 0.99999 1.00003 1.00001
1.00001 1.00001 1.00001 1.00000 0.99998
1.00000 1.00000 1.00001 1.00001 1.00001
1.00000 1.00000 0.99998 0.99999 0.99998
1.00002 1.00001 1.00001 1.00002 0.99999
0.99998 0.99998 1.00000 1.00000 1.00000
1.00000 1.00002 1.00000 0.99999 1.00000
0.99998 1.00000 1.00002 0.99999 0.99999
1.00000 1.00000 1.00000 0.99997 1.00001
1.00004 0.99999 0.99998 1.00001 1.00004
1.00002 0.99998 0.99999 0.99999 1.00000
1.00002 0.99999 1.00000 1.00004 1.00000
0.99998 0.99999 0.99999 0.99999 1.00000
1.00002 0.99999 0.99999 1.00000 1.00002
0.99999 0.99998 1.00001 1.00003 1.00000
0.99999 0.99997 1.00000 0.99999 0.99997
0.99996 1.00001 1.00001 0.99998 0.99999
0.99999 0.99997 1.00000 1.00000 1.00000
0.99998
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> 240513094515940626.eigenfacs
Openam> file on opening on unit 10:
240513094515940626.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240513094515940626.atom
Openam> file on opening on unit 11:
240513094515940626.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 = 732
First residue number = 1
Last residue number = 244
Number of atoms found = 5799
Mean number per residue = 7.9
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: 9.9936E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9965E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.9086E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.9107E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2012
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9427
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9448
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.154
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.282
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.823
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.999
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.002
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.736
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 4.004
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 4.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 4.456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.989
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 5.007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 5.268
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 6.015
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 6.054
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 7.292
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 7.326
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 7.393
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 8.090
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 8.223
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 10.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 10.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 10.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 11.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 11.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 12.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 14.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 14.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 15.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 15.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 15.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 15.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 17.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 17.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 17.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 18.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 19.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 19.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 20.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 20.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 21.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 22.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 22.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 22.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 24.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 24.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 24.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 25.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 25.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 26.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 27.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 27.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 27.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 28.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 28.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 28.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 28.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 29.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 29.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 29.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 29.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 31.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 31.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 32.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 32.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 33.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 34.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 34.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 34.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 35.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 35.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 37.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 37.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 38.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 38.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 38.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 39.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 39.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 39.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 39.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 39.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 40.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 40.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 40.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 41.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 42.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 42.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 42.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 42.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 43.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 43.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 43.89
Bfactors> 106 vectors, 17397 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 : 0.029086
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= -0.218 for 732 C-alpha atoms.
Bfactors> = 0.257 +/- 0.21
Bfactors> = 91.470 +/- 9.94
Bfactors> Shiftng-fct= 91.213
Bfactors> Scaling-fct= 46.347
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240513094515940626 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-80
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-60
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-40
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-20
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=0
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=20
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=40
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=60
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=80
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=100
240513094515940626.eigenfacs
240513094515940626.atom
making animated gifs
11 models are in 240513094515940626.7.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 240513094515940626.7.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 240513094515940626.7.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 240513094515940626 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-80
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-60
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-40
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-20
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=0
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=20
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=40
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=60
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=80
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=100
240513094515940626.eigenfacs
240513094515940626.atom
making animated gifs
11 models are in 240513094515940626.8.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 240513094515940626.8.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 240513094515940626.8.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 240513094515940626 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-80
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-60
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-40
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-20
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=0
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=20
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=40
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=60
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=80
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=100
240513094515940626.eigenfacs
240513094515940626.atom
making animated gifs
11 models are in 240513094515940626.9.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 240513094515940626.9.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 240513094515940626.9.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 240513094515940626 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-80
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-60
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-40
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-20
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=0
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=20
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=40
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=60
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=80
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=100
240513094515940626.eigenfacs
240513094515940626.atom
making animated gifs
11 models are in 240513094515940626.10.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 240513094515940626.10.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 240513094515940626.10.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 240513094515940626 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-80
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-60
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-40
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=-20
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=0
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=20
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=40
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=60
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=80
240513094515940626.eigenfacs
240513094515940626.atom
calculating perturbed structure for DQ=100
240513094515940626.eigenfacs
240513094515940626.atom
making animated gifs
11 models are in 240513094515940626.11.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 240513094515940626.11.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 240513094515940626.11.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
240513094515940626.10.pdb
240513094515940626.11.pdb
240513094515940626.7.pdb
240513094515940626.8.pdb
240513094515940626.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m28.438s
user 0m28.349s
sys 0m0.088s
../../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: 240513094515940626.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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