*** ***
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 = 2404111338133657461.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 2404111338133657461.atom to be opened.
Openam> File opened: 2404111338133657461.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 = 700
First residue number = 0
Last residue number = 350
Number of atoms found = 5544
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= -0.000000 +/- 14.590759 From: -33.228000 To: 33.228000
= -0.000000 +/- 11.836010 From: -28.616000 To: 28.616000
= 22.356505 +/- 20.816754 From: -12.786000 To: 61.996000
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 1.5151 % Filled.
Pdbmat> 2095722 non-zero elements.
Pdbmat> 229242 atom-atom interactions.
Pdbmat> Number per atom= 82.70 +/- 20.99
Maximum number = 124
Minimum number = 14
Pdbmat> Matrix trace = 4.584840E+06
Pdbmat> Larger element = 506.918
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
700 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 = 2404111338133657461.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 2404111338133657461.atom to be opened.
Openam> file on opening on unit 11:
2404111338133657461.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5544 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> 700 residues.
Blocpdb> 33 atoms in block 1
Block first atom: 1
Blocpdb> 35 atoms in block 2
Block first atom: 34
Blocpdb> 32 atoms in block 3
Block first atom: 69
Blocpdb> 32 atoms in block 4
Block first atom: 101
Blocpdb> 29 atoms in block 5
Block first atom: 133
Blocpdb> 26 atoms in block 6
Block first atom: 162
Blocpdb> 42 atoms in block 7
Block first atom: 188
Blocpdb> 41 atoms in block 8
Block first atom: 230
Blocpdb> 29 atoms in block 9
Block first atom: 271
Blocpdb> 26 atoms in block 10
Block first atom: 300
Blocpdb> 30 atoms in block 11
Block first atom: 326
Blocpdb> 34 atoms in block 12
Block first atom: 356
Blocpdb> 34 atoms in block 13
Block first atom: 390
Blocpdb> 27 atoms in block 14
Block first atom: 424
Blocpdb> 36 atoms in block 15
Block first atom: 451
Blocpdb> 40 atoms in block 16
Block first atom: 487
Blocpdb> 29 atoms in block 17
Block first atom: 527
Blocpdb> 37 atoms in block 18
Block first atom: 556
Blocpdb> 30 atoms in block 19
Block first atom: 593
Blocpdb> 32 atoms in block 20
Block first atom: 623
Blocpdb> 32 atoms in block 21
Block first atom: 655
Blocpdb> 39 atoms in block 22
Block first atom: 687
Blocpdb> 35 atoms in block 23
Block first atom: 726
Blocpdb> 32 atoms in block 24
Block first atom: 761
Blocpdb> 33 atoms in block 25
Block first atom: 793
Blocpdb> 34 atoms in block 26
Block first atom: 826
Blocpdb> 34 atoms in block 27
Block first atom: 860
Blocpdb> 32 atoms in block 28
Block first atom: 894
Blocpdb> 32 atoms in block 29
Block first atom: 926
Blocpdb> 32 atoms in block 30
Block first atom: 958
Blocpdb> 36 atoms in block 31
Block first atom: 990
Blocpdb> 37 atoms in block 32
Block first atom: 1026
Blocpdb> 32 atoms in block 33
Block first atom: 1063
Blocpdb> 27 atoms in block 34
Block first atom: 1095
Blocpdb> 28 atoms in block 35
Block first atom: 1122
Blocpdb> 31 atoms in block 36
Block first atom: 1150
Blocpdb> 26 atoms in block 37
Block first atom: 1181
Blocpdb> 37 atoms in block 38
Block first atom: 1207
Blocpdb> 35 atoms in block 39
Block first atom: 1244
Blocpdb> 29 atoms in block 40
Block first atom: 1279
Blocpdb> 35 atoms in block 41
Block first atom: 1308
Blocpdb> 31 atoms in block 42
Block first atom: 1343
Blocpdb> 32 atoms in block 43
Block first atom: 1374
Blocpdb> 27 atoms in block 44
Block first atom: 1406
Blocpdb> 33 atoms in block 45
Block first atom: 1433
Blocpdb> 30 atoms in block 46
Block first atom: 1466
Blocpdb> 28 atoms in block 47
Block first atom: 1496
Blocpdb> 31 atoms in block 48
Block first atom: 1524
Blocpdb> 27 atoms in block 49
Block first atom: 1555
Blocpdb> 32 atoms in block 50
Block first atom: 1582
Blocpdb> 29 atoms in block 51
Block first atom: 1614
Blocpdb> 36 atoms in block 52
Block first atom: 1643
Blocpdb> 23 atoms in block 53
Block first atom: 1679
Blocpdb> 30 atoms in block 54
Block first atom: 1702
Blocpdb> 28 atoms in block 55
Block first atom: 1732
Blocpdb> 37 atoms in block 56
Block first atom: 1760
Blocpdb> 34 atoms in block 57
Block first atom: 1797
Blocpdb> 33 atoms in block 58
Block first atom: 1831
Blocpdb> 25 atoms in block 59
Block first atom: 1864
Blocpdb> 32 atoms in block 60
Block first atom: 1889
Blocpdb> 33 atoms in block 61
Block first atom: 1921
Blocpdb> 24 atoms in block 62
Block first atom: 1954
Blocpdb> 27 atoms in block 63
Block first atom: 1978
Blocpdb> 28 atoms in block 64
Block first atom: 2005
Blocpdb> 26 atoms in block 65
Block first atom: 2033
Blocpdb> 33 atoms in block 66
Block first atom: 2059
Blocpdb> 35 atoms in block 67
Block first atom: 2092
Blocpdb> 25 atoms in block 68
Block first atom: 2127
Blocpdb> 27 atoms in block 69
Block first atom: 2152
Blocpdb> 33 atoms in block 70
Block first atom: 2179
Blocpdb> 31 atoms in block 71
Block first atom: 2212
Blocpdb> 32 atoms in block 72
Block first atom: 2243
Blocpdb> 31 atoms in block 73
Block first atom: 2275
Blocpdb> 28 atoms in block 74
Block first atom: 2306
Blocpdb> 28 atoms in block 75
Block first atom: 2334
Blocpdb> 36 atoms in block 76
Block first atom: 2362
Blocpdb> 41 atoms in block 77
Block first atom: 2398
Blocpdb> 29 atoms in block 78
Block first atom: 2439
Blocpdb> 30 atoms in block 79
Block first atom: 2468
Blocpdb> 30 atoms in block 80
Block first atom: 2498
Blocpdb> 36 atoms in block 81
Block first atom: 2528
Blocpdb> 30 atoms in block 82
Block first atom: 2564
Blocpdb> 35 atoms in block 83
Block first atom: 2594
Blocpdb> 21 atoms in block 84
Block first atom: 2629
Blocpdb> 29 atoms in block 85
Block first atom: 2650
Blocpdb> 32 atoms in block 86
Block first atom: 2679
Blocpdb> 34 atoms in block 87
Block first atom: 2711
Blocpdb> 28 atoms in block 88
Block first atom: 2745
Blocpdb> 33 atoms in block 89
Block first atom: 2773
Blocpdb> 35 atoms in block 90
Block first atom: 2806
Blocpdb> 32 atoms in block 91
Block first atom: 2841
Blocpdb> 32 atoms in block 92
Block first atom: 2873
Blocpdb> 29 atoms in block 93
Block first atom: 2905
Blocpdb> 26 atoms in block 94
Block first atom: 2934
Blocpdb> 42 atoms in block 95
Block first atom: 2960
Blocpdb> 41 atoms in block 96
Block first atom: 3002
Blocpdb> 29 atoms in block 97
Block first atom: 3043
Blocpdb> 26 atoms in block 98
Block first atom: 3072
Blocpdb> 30 atoms in block 99
Block first atom: 3098
Blocpdb> 34 atoms in block 100
Block first atom: 3128
Blocpdb> 34 atoms in block 101
Block first atom: 3162
Blocpdb> 27 atoms in block 102
Block first atom: 3196
Blocpdb> 36 atoms in block 103
Block first atom: 3223
Blocpdb> 40 atoms in block 104
Block first atom: 3259
Blocpdb> 29 atoms in block 105
Block first atom: 3299
Blocpdb> 37 atoms in block 106
Block first atom: 3328
Blocpdb> 30 atoms in block 107
Block first atom: 3365
Blocpdb> 32 atoms in block 108
Block first atom: 3395
Blocpdb> 32 atoms in block 109
Block first atom: 3427
Blocpdb> 39 atoms in block 110
Block first atom: 3459
Blocpdb> 35 atoms in block 111
Block first atom: 3498
Blocpdb> 32 atoms in block 112
Block first atom: 3533
Blocpdb> 33 atoms in block 113
Block first atom: 3565
Blocpdb> 34 atoms in block 114
Block first atom: 3598
Blocpdb> 34 atoms in block 115
Block first atom: 3632
Blocpdb> 32 atoms in block 116
Block first atom: 3666
Blocpdb> 32 atoms in block 117
Block first atom: 3698
Blocpdb> 32 atoms in block 118
Block first atom: 3730
Blocpdb> 36 atoms in block 119
Block first atom: 3762
Blocpdb> 37 atoms in block 120
Block first atom: 3798
Blocpdb> 32 atoms in block 121
Block first atom: 3835
Blocpdb> 27 atoms in block 122
Block first atom: 3867
Blocpdb> 28 atoms in block 123
Block first atom: 3894
Blocpdb> 31 atoms in block 124
Block first atom: 3922
Blocpdb> 26 atoms in block 125
Block first atom: 3953
Blocpdb> 37 atoms in block 126
Block first atom: 3979
Blocpdb> 35 atoms in block 127
Block first atom: 4016
Blocpdb> 29 atoms in block 128
Block first atom: 4051
Blocpdb> 35 atoms in block 129
Block first atom: 4080
Blocpdb> 31 atoms in block 130
Block first atom: 4115
Blocpdb> 32 atoms in block 131
Block first atom: 4146
Blocpdb> 27 atoms in block 132
Block first atom: 4178
Blocpdb> 33 atoms in block 133
Block first atom: 4205
Blocpdb> 30 atoms in block 134
Block first atom: 4238
Blocpdb> 28 atoms in block 135
Block first atom: 4268
Blocpdb> 31 atoms in block 136
Block first atom: 4296
Blocpdb> 27 atoms in block 137
Block first atom: 4327
Blocpdb> 32 atoms in block 138
Block first atom: 4354
Blocpdb> 29 atoms in block 139
Block first atom: 4386
Blocpdb> 36 atoms in block 140
Block first atom: 4415
Blocpdb> 23 atoms in block 141
Block first atom: 4451
Blocpdb> 30 atoms in block 142
Block first atom: 4474
Blocpdb> 28 atoms in block 143
Block first atom: 4504
Blocpdb> 37 atoms in block 144
Block first atom: 4532
Blocpdb> 34 atoms in block 145
Block first atom: 4569
Blocpdb> 33 atoms in block 146
Block first atom: 4603
Blocpdb> 25 atoms in block 147
Block first atom: 4636
Blocpdb> 32 atoms in block 148
Block first atom: 4661
Blocpdb> 33 atoms in block 149
Block first atom: 4693
Blocpdb> 24 atoms in block 150
Block first atom: 4726
Blocpdb> 27 atoms in block 151
Block first atom: 4750
Blocpdb> 28 atoms in block 152
Block first atom: 4777
Blocpdb> 26 atoms in block 153
Block first atom: 4805
Blocpdb> 33 atoms in block 154
Block first atom: 4831
Blocpdb> 35 atoms in block 155
Block first atom: 4864
Blocpdb> 25 atoms in block 156
Block first atom: 4899
Blocpdb> 27 atoms in block 157
Block first atom: 4924
Blocpdb> 33 atoms in block 158
Block first atom: 4951
Blocpdb> 31 atoms in block 159
Block first atom: 4984
Blocpdb> 32 atoms in block 160
Block first atom: 5015
Blocpdb> 31 atoms in block 161
Block first atom: 5047
Blocpdb> 28 atoms in block 162
Block first atom: 5078
Blocpdb> 28 atoms in block 163
Block first atom: 5106
Blocpdb> 36 atoms in block 164
Block first atom: 5134
Blocpdb> 41 atoms in block 165
Block first atom: 5170
Blocpdb> 29 atoms in block 166
Block first atom: 5211
Blocpdb> 30 atoms in block 167
Block first atom: 5240
Blocpdb> 30 atoms in block 168
Block first atom: 5270
Blocpdb> 36 atoms in block 169
Block first atom: 5300
Blocpdb> 30 atoms in block 170
Block first atom: 5336
Blocpdb> 35 atoms in block 171
Block first atom: 5366
Blocpdb> 21 atoms in block 172
Block first atom: 5401
Blocpdb> 29 atoms in block 173
Block first atom: 5422
Blocpdb> 32 atoms in block 174
Block first atom: 5451
Blocpdb> 34 atoms in block 175
Block first atom: 5483
Blocpdb> 28 atoms in block 176
Block first atom: 5516
Blocpdb> 176 blocks.
Blocpdb> At most, 42 atoms in each of them.
Blocpdb> At least, 21 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> 2095898 matrix lines read.
Prepmat> Matrix order = 16632
Prepmat> Matrix trace = 4584840.0000
Prepmat> Last element read: 16632 16632 233.5980
Prepmat> 15577 lines saved.
Prepmat> 13924 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: 5544
RTB> Total mass = 5544.0000
RTB> Number of atoms found in matrix: 5544
RTB> Number of blocks = 176
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 213319.5036
RTB> 56830 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 = 1056
Diagstd> Nb of non-zero elements: 56830
Diagstd> Projected matrix trace = 213319.5036
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1056 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 213319.5036
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 0.3769038 0.4484007 0.9925478 2.1052555
2.2583310 2.9396474 3.0317458 3.6983503 3.9248267
4.4794572 5.7922924 6.5464676 8.4557114 8.5077014
9.4600324 9.7788145 10.2468955 10.4732635 11.0358865
11.3127395 11.7618589 12.5652653 13.1690116 13.8619439
14.4325311 14.7055202 15.1716295 15.3110637 16.4729977
16.8224359 18.1519584 18.4290924 19.3220904 19.5133865
20.1808155 20.7290208 20.9165164 21.7528008 22.0984459
23.4903206 23.7358647 23.8100950 24.3892247 24.9595403
25.9830099 26.2436141 26.8853347 27.2345500 27.3959421
27.7565735 27.9349746 29.7467992 29.8732964 30.1911103
30.7646395 31.0369667 31.5132524 31.5642542 32.5319321
33.0126451 33.3087195 33.7107791 33.8914536 34.2890149
35.7405090 35.7987849 36.3804016 36.9133408 37.4822820
37.5248144 37.6330863 38.1860735 38.5318206 38.5448697
39.0360367 39.2205942 39.7042642 40.4620408 40.5702550
40.9350395 41.2806716 41.4702998 41.6350238 41.7441365
42.7696292 43.1117993 43.6775209 45.3406886 45.4113839
45.8482538 46.2912208 47.2284154 47.4022672 48.0003089
48.6124712 48.6724560 49.0353616 49.4862320 49.6063154
50.2795978
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034327 0.0034328 0.0034332 0.0034335 0.0034339
0.0034340 66.6669438 72.7157362 108.1859838 157.5606207
163.1883212 186.1842326 189.0782934 208.8330848 215.1322508
229.8306660 261.3488057 277.8425733 315.7696291 316.7388962
333.9962504 339.5770921 347.6093376 351.4279472 360.7438136
365.2407053 372.4202287 384.9294261 394.0686351 404.3033581
412.5404437 416.4237358 422.9717821 424.9109875 440.7391187
445.3892401 462.6547483 466.1731478 477.3339613 479.6910362
487.8256552 494.4070715 496.6380134 506.4690041 510.4769614
526.3077343 529.0513278 529.8779461 536.2833056 542.5172750
553.5285296 556.2974913 563.0578328 566.7028311 568.3794922
572.1082451 573.9438685 592.2640896 593.5220450 596.6708522
602.3115555 604.9715001 609.5956992 610.0887920 619.3700616
623.9293873 626.7210025 630.4921379 632.1794559 635.8765134
649.1957180 649.7247684 654.9814871 659.7614810 664.8264543
665.2035474 666.1625265 671.0390317 674.0700718 674.1842016
678.4660787 680.0680387 684.2485035 690.7472623 691.6703339
694.7729268 697.6998946 699.3005469 700.6880144 701.6055583
710.1711459 713.0062793 717.6691373 731.2053095 731.7751353
735.2866488 738.8301293 746.2716910 747.6439738 752.3454459
757.1276897 757.5946706 760.4137673 763.9016947 764.8279764
770.0008027
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5544
Rtb_to_modes> Number of blocs = 176
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: 9.9927E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9935E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9958E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9974E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9994E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.3769
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.4484
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.9925
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.105
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.258
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.940
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 3.032
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.698
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 3.925
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.479
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 5.792
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 6.546
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 8.456
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 8.508
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 9.460
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 9.779
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 10.25
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 10.47
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 11.04
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 11.31
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 11.76
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 12.57
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 13.17
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 13.86
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 14.43
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 14.71
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 15.17
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 15.31
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 16.47
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 16.82
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 18.15
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 18.43
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 19.32
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 19.51
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 20.18
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 20.73
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 20.92
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 21.75
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 22.10
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 23.49
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 23.74
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 23.81
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 24.39
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 24.96
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 25.98
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 26.24
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 26.89
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 27.23
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 27.40
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 27.76
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 27.93
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 29.75
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 29.87
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 30.19
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 30.76
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 31.04
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 31.51
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 31.56
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 32.53
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 33.01
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 33.31
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 33.71
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 33.89
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 34.29
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 35.74
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 35.80
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 36.38
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 36.91
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 37.48
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 37.52
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 37.63
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 38.19
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 38.53
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 38.54
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 39.04
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 39.22
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 39.70
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 40.46
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 40.57
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 40.94
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 41.28
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 41.47
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 41.64
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 41.74
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 42.77
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 43.11
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 43.68
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 45.34
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 45.41
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 45.85
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 46.29
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 47.23
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 47.40
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 48.00
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 48.61
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 48.67
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 49.04
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 49.49
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 49.61
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 50.28
Rtb_to_modes> 106 vectors, with 1056 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 0.99996 1.00000 1.00000
1.00000 1.00000 1.00001 1.00003 1.00000
1.00001 1.00002 1.00003 1.00000 1.00001
1.00000 1.00000 0.99999 1.00000 1.00001
1.00000 1.00003 0.99998 1.00001 1.00003
0.99997 1.00005 1.00000 1.00003 1.00000
0.99999 0.99996 0.99996 1.00004 0.99997
0.99998 0.99999 0.99998 1.00000 1.00000
0.99997 1.00001 0.99999 0.99999 1.00003
1.00000 1.00003 1.00000 1.00006 0.99999
0.99997 0.99998 1.00000 1.00001 1.00001
0.99998 0.99997 1.00001 1.00002 0.99998
1.00001 0.99999 1.00000 1.00001 1.00000
0.99995 1.00000 0.99997 0.99997 0.99998
1.00001 1.00000 1.00002 0.99998 0.99998
1.00001 0.99998 0.99997 1.00001 1.00000
1.00003 0.99999 1.00001 0.99998 0.99998
1.00000 1.00003 1.00002 0.99998 0.99999
0.99998 1.00001 0.99999 1.00001 1.00002
0.99996 1.00002 0.99998 1.00000 1.00002
0.99999 1.00004 0.99999 0.99999 0.99999
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 99792 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 0.99996 1.00000 1.00000
1.00000 1.00000 1.00001 1.00003 1.00000
1.00001 1.00002 1.00003 1.00000 1.00001
1.00000 1.00000 0.99999 1.00000 1.00001
1.00000 1.00003 0.99998 1.00001 1.00003
0.99997 1.00005 1.00000 1.00003 1.00000
0.99999 0.99996 0.99996 1.00004 0.99997
0.99998 0.99999 0.99998 1.00000 1.00000
0.99997 1.00001 0.99999 0.99999 1.00003
1.00000 1.00003 1.00000 1.00006 0.99999
0.99997 0.99998 1.00000 1.00001 1.00001
0.99998 0.99997 1.00001 1.00002 0.99998
1.00001 0.99999 1.00000 1.00001 1.00000
0.99995 1.00000 0.99997 0.99997 0.99998
1.00001 1.00000 1.00002 0.99998 0.99998
1.00001 0.99998 0.99997 1.00001 1.00000
1.00003 0.99999 1.00001 0.99998 0.99998
1.00000 1.00003 1.00002 0.99998 0.99999
0.99998 1.00001 0.99999 1.00001 1.00002
0.99996 1.00002 0.99998 1.00000 1.00002
0.99999 1.00004 0.99999 0.99999 0.99999
1.00002
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> 2404111338133657461.eigenfacs
Openam> file on opening on unit 10:
2404111338133657461.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404111338133657461.atom
Openam> file on opening on unit 11:
2404111338133657461.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 = 700
First residue number = 0
Last residue number = 350
Number of atoms found = 5544
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: 9.9927E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9935E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9958E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9974E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9994E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3769
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4484
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9925
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.258
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.940
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 3.032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.698
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 3.925
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.479
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 5.792
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 6.546
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 8.456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 8.508
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 9.460
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 9.779
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 10.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 10.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 11.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 11.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 11.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 12.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 13.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 13.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 14.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 14.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 15.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 15.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 16.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 16.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 18.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 18.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 19.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 19.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 20.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 20.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 20.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 21.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 22.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 23.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 23.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 23.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 24.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 24.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 25.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 26.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 26.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 27.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 27.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 27.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 27.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 29.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 29.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 30.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 30.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 31.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 31.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 31.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 32.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 33.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 33.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 33.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 33.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 34.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 35.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 35.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 36.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 36.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 37.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 37.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 37.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 38.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 38.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 38.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 39.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 39.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 39.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 40.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 40.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 40.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 41.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 41.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 41.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 41.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 42.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 43.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 43.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 45.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 45.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 45.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 46.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 47.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 47.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 48.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 48.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 48.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 49.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 49.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 49.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 50.28
Bfactors> 106 vectors, 16632 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 : 0.376900
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= 0.320 for 708 C-alpha atoms.
Bfactors> = 0.032 +/- 0.02
Bfactors> = 37.129 +/- 11.88
Bfactors> Shiftng-fct= 37.097
Bfactors> Scaling-fct= 549.168
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404111338133657461 7 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-80
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-60
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-40
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-20
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=0
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=20
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=40
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=60
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=80
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=100
2404111338133657461.eigenfacs
2404111338133657461.atom
making animated gifs
11 models are in 2404111338133657461.7.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 2404111338133657461.7.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 2404111338133657461.7.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
compute RMSD to second conformer
MODEL 1 MODE=7 DQ=-100 349 2.830 248 1.465
MODEL 2 MODE=7 DQ=-80 349 2.703 254 1.843
MODEL 3 MODE=7 DQ=-60 349 2.595 263 1.819
MODEL 4 MODE=7 DQ=-40 349 2.509 275 1.831
MODEL 5 MODE=7 DQ=-20 349 2.447 277 1.796
MODEL 6 MODE=7 DQ=0 349 2.412 283 1.774
MODEL 7 MODE=7 DQ=20 349 2.404 280 1.736
MODEL 8 MODE=7 DQ=40 349 2.424 278 1.724
MODEL 9 MODE=7 DQ=60 349 2.471 274 1.721
MODEL 10 MODE=7 DQ=80 349 2.543 264 1.676
MODEL 11 MODE=7 DQ=100 349 2.639 259 1.700
getting mode 8
running: ../../bin/get_modes.sh 2404111338133657461 8 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-80
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-60
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-40
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-20
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=0
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=20
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=40
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=60
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=80
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=100
2404111338133657461.eigenfacs
2404111338133657461.atom
making animated gifs
11 models are in 2404111338133657461.8.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 2404111338133657461.8.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 2404111338133657461.8.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
compute RMSD to second conformer
MODEL 1 MODE=8 DQ=-100 349 1.740 328 1.339
MODEL 2 MODE=8 DQ=-80 349 1.846 327 1.468
MODEL 3 MODE=8 DQ=-60 349 1.970 325 1.609
MODEL 4 MODE=8 DQ=-40 349 2.107 315 1.707
MODEL 5 MODE=8 DQ=-20 349 2.255 300 1.766
MODEL 6 MODE=8 DQ=0 349 2.412 283 1.774
MODEL 7 MODE=8 DQ=20 349 2.577 264 1.739
MODEL 8 MODE=8 DQ=40 349 2.748 247 1.735
MODEL 9 MODE=8 DQ=60 349 2.924 241 1.384
MODEL 10 MODE=8 DQ=80 349 3.104 240 1.432
MODEL 11 MODE=8 DQ=100 349 3.288 234 1.443
getting mode 9
running: ../../bin/get_modes.sh 2404111338133657461 9 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-80
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-60
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-40
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-20
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=0
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=20
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=40
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=60
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=80
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=100
2404111338133657461.eigenfacs
2404111338133657461.atom
making animated gifs
11 models are in 2404111338133657461.9.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 2404111338133657461.9.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 2404111338133657461.9.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
compute RMSD to second conformer
MODEL 1 MODE=9 DQ=-100 349 2.509 263 1.524
MODEL 2 MODE=9 DQ=-80 349 2.434 266 1.525
MODEL 3 MODE=9 DQ=-60 349 2.386 277 1.597
MODEL 4 MODE=9 DQ=-40 349 2.366 278 1.622
MODEL 5 MODE=9 DQ=-20 349 2.375 278 1.668
MODEL 6 MODE=9 DQ=0 349 2.412 283 1.774
MODEL 7 MODE=9 DQ=20 349 2.477 277 1.834
MODEL 8 MODE=9 DQ=40 349 2.566 271 1.901
MODEL 9 MODE=9 DQ=60 349 2.679 260 1.644
MODEL 10 MODE=9 DQ=80 349 2.811 253 1.544
MODEL 11 MODE=9 DQ=100 349 2.960 246 1.615
getting mode 10
running: ../../bin/get_modes.sh 2404111338133657461 10 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-80
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-60
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-40
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-20
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=0
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=20
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=40
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=60
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=80
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=100
2404111338133657461.eigenfacs
2404111338133657461.atom
making animated gifs
11 models are in 2404111338133657461.10.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 2404111338133657461.10.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 2404111338133657461.10.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
compute RMSD to second conformer
MODEL 1 MODE=10 DQ=-100 349 2.548 267 1.816
MODEL 2 MODE=10 DQ=-80 349 2.475 278 1.822
MODEL 3 MODE=10 DQ=-60 349 2.425 287 1.835
MODEL 4 MODE=10 DQ=-40 349 2.397 287 1.801
MODEL 5 MODE=10 DQ=-20 349 2.392 286 1.795
MODEL 6 MODE=10 DQ=0 349 2.412 283 1.774
MODEL 7 MODE=10 DQ=20 349 2.455 274 1.754
MODEL 8 MODE=10 DQ=40 349 2.519 270 1.792
MODEL 9 MODE=10 DQ=60 349 2.604 262 1.813
MODEL 10 MODE=10 DQ=80 349 2.706 252 1.835
MODEL 11 MODE=10 DQ=100 349 2.825 238 1.570
getting mode 11
running: ../../bin/get_modes.sh 2404111338133657461 11 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-80
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-60
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-40
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=-20
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=0
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=20
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=40
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=60
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=80
2404111338133657461.eigenfacs
2404111338133657461.atom
calculating perturbed structure for DQ=100
2404111338133657461.eigenfacs
2404111338133657461.atom
making animated gifs
11 models are in 2404111338133657461.11.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 2404111338133657461.11.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 2404111338133657461.11.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
compute RMSD to second conformer
MODEL 1 MODE=11 DQ=-100 349 3.376 232 1.522
MODEL 2 MODE=11 DQ=-80 349 3.169 238 1.470
MODEL 3 MODE=11 DQ=-60 349 2.968 243 1.418
MODEL 4 MODE=11 DQ=-40 349 2.773 248 1.726
MODEL 5 MODE=11 DQ=-20 349 2.587 264 1.753
MODEL 6 MODE=11 DQ=0 349 2.412 283 1.774
MODEL 7 MODE=11 DQ=20 349 2.250 298 1.753
MODEL 8 MODE=11 DQ=40 349 2.103 312 1.695
MODEL 9 MODE=11 DQ=60 349 1.976 325 1.625
MODEL 10 MODE=11 DQ=80 349 1.872 326 1.509
MODEL 11 MODE=11 DQ=100 349 1.796 328 1.437
2404111338133657461.10.pdb
2404111338133657461.11.pdb
2404111338133657461.7.pdb
2404111338133657461.8.pdb
2404111338133657461.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m26.312s
user 0m26.208s
sys 0m0.104s
../../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: 2404111338133657461.Chkmod.res: No such file or directory
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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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