*** ***
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 = 240220112347191596.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 240220112347191596.atom to be opened.
Openam> File opened: 240220112347191596.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 = 555
First residue number = 451
Last residue number = 1541
Number of atoms found = 4145
Mean number per residue = 7.5
Pdbmat> Coordinate statistics:
= -20.803420 +/- 18.343880 From: -57.804000 To: 26.379000
= -15.443817 +/- 10.303467 From: -46.889000 To: 10.577000
= -0.492967 +/- 26.131089 From: -59.459000 To: 53.472000
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 1.9071 % Filled.
Pdbmat> 1474610 non-zero elements.
Pdbmat> 161105 atom-atom interactions.
Pdbmat> Number per atom= 77.73 +/- 20.08
Maximum number = 121
Minimum number = 13
Pdbmat> Matrix trace = 3.222100E+06
Pdbmat> Larger element = 499.667
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
555 non-zero elements, NRBL set to 3
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 = 240220112347191596.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
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 240220112347191596.atom to be opened.
Openam> file on opening on unit 11:
240220112347191596.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4145 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 555 residues.
Blocpdb> 17 atoms in block 1
Block first atom: 1
Blocpdb> 19 atoms in block 2
Block first atom: 18
Blocpdb> 17 atoms in block 3
Block first atom: 37
Blocpdb> 23 atoms in block 4
Block first atom: 54
Blocpdb> 20 atoms in block 5
Block first atom: 77
Blocpdb> 29 atoms in block 6
Block first atom: 97
Blocpdb> 24 atoms in block 7
Block first atom: 126
Blocpdb> 24 atoms in block 8
Block first atom: 150
Blocpdb> 19 atoms in block 9
Block first atom: 174
Blocpdb> 24 atoms in block 10
Block first atom: 193
Blocpdb> 23 atoms in block 11
Block first atom: 217
Blocpdb> 25 atoms in block 12
Block first atom: 240
Blocpdb> 28 atoms in block 13
Block first atom: 265
Blocpdb> 25 atoms in block 14
Block first atom: 293
Blocpdb> 25 atoms in block 15
Block first atom: 318
Blocpdb> 21 atoms in block 16
Block first atom: 343
Blocpdb> 25 atoms in block 17
Block first atom: 364
Blocpdb> 20 atoms in block 18
Block first atom: 389
Blocpdb> 31 atoms in block 19
Block first atom: 409
Blocpdb> 27 atoms in block 20
Block first atom: 440
Blocpdb> 26 atoms in block 21
Block first atom: 467
Blocpdb> 22 atoms in block 22
Block first atom: 493
Blocpdb> 27 atoms in block 23
Block first atom: 515
Blocpdb> 26 atoms in block 24
Block first atom: 542
Blocpdb> 20 atoms in block 25
Block first atom: 568
Blocpdb> 24 atoms in block 26
Block first atom: 588
Blocpdb> 24 atoms in block 27
Block first atom: 612
Blocpdb> 25 atoms in block 28
Block first atom: 636
Blocpdb> 22 atoms in block 29
Block first atom: 661
Blocpdb> 27 atoms in block 30
Block first atom: 683
Blocpdb> 18 atoms in block 31
Block first atom: 710
Blocpdb> 20 atoms in block 32
Block first atom: 728
Blocpdb> 20 atoms in block 33
Block first atom: 748
Blocpdb> 23 atoms in block 34
Block first atom: 768
Blocpdb> 24 atoms in block 35
Block first atom: 791
Blocpdb> 22 atoms in block 36
Block first atom: 815
Blocpdb> 6 atoms in block 37
Block first atom: 837
Blocpdb> 30 atoms in block 38
Block first atom: 843
Blocpdb> 34 atoms in block 39
Block first atom: 873
Blocpdb> 27 atoms in block 40
Block first atom: 907
Blocpdb> 14 atoms in block 41
Block first atom: 934
Blocpdb> 30 atoms in block 42
Block first atom: 948
Blocpdb> 27 atoms in block 43
Block first atom: 978
Blocpdb> 27 atoms in block 44
Block first atom: 1005
Blocpdb> 23 atoms in block 45
Block first atom: 1032
Blocpdb> 27 atoms in block 46
Block first atom: 1055
Blocpdb> 21 atoms in block 47
Block first atom: 1082
Blocpdb> 20 atoms in block 48
Block first atom: 1103
Blocpdb> 34 atoms in block 49
Block first atom: 1123
Blocpdb> 20 atoms in block 50
Block first atom: 1157
Blocpdb> 27 atoms in block 51
Block first atom: 1177
Blocpdb> 14 atoms in block 52
Block first atom: 1204
Blocpdb> 24 atoms in block 53
Block first atom: 1218
Blocpdb> 30 atoms in block 54
Block first atom: 1242
Blocpdb> 20 atoms in block 55
Block first atom: 1272
Blocpdb> 22 atoms in block 56
Block first atom: 1292
Blocpdb> 15 atoms in block 57
Block first atom: 1314
Blocpdb> 23 atoms in block 58
Block first atom: 1329
Blocpdb> 22 atoms in block 59
Block first atom: 1352
Blocpdb> 20 atoms in block 60
Block first atom: 1374
Blocpdb> 22 atoms in block 61
Block first atom: 1394
Blocpdb> 31 atoms in block 62
Block first atom: 1416
Blocpdb> 19 atoms in block 63
Block first atom: 1447
Blocpdb> 19 atoms in block 64
Block first atom: 1466
Blocpdb> 26 atoms in block 65
Block first atom: 1485
Blocpdb> 26 atoms in block 66
Block first atom: 1511
Blocpdb> 25 atoms in block 67
Block first atom: 1537
Blocpdb> 24 atoms in block 68
Block first atom: 1562
Blocpdb> 19 atoms in block 69
Block first atom: 1586
Blocpdb> 33 atoms in block 70
Block first atom: 1605
Blocpdb> 22 atoms in block 71
Block first atom: 1638
Blocpdb> 19 atoms in block 72
Block first atom: 1660
Blocpdb> 24 atoms in block 73
Block first atom: 1679
Blocpdb> 30 atoms in block 74
Block first atom: 1703
Blocpdb> 16 atoms in block 75
Block first atom: 1733
Blocpdb> 23 atoms in block 76
Block first atom: 1749
Blocpdb> 22 atoms in block 77
Block first atom: 1772
Blocpdb> 25 atoms in block 78
Block first atom: 1794
Blocpdb> 22 atoms in block 79
Block first atom: 1819
Blocpdb> 23 atoms in block 80
Block first atom: 1841
Blocpdb> 24 atoms in block 81
Block first atom: 1864
Blocpdb> 23 atoms in block 82
Block first atom: 1888
Blocpdb> 20 atoms in block 83
Block first atom: 1911
Blocpdb> 17 atoms in block 84
Block first atom: 1931
Blocpdb> 22 atoms in block 85
Block first atom: 1948
Blocpdb> 17 atoms in block 86
Block first atom: 1970
Blocpdb> 19 atoms in block 87
Block first atom: 1987
Blocpdb> 18 atoms in block 88
Block first atom: 2006
Blocpdb> 19 atoms in block 89
Block first atom: 2024
Blocpdb> 20 atoms in block 90
Block first atom: 2043
Blocpdb> 25 atoms in block 91
Block first atom: 2063
Blocpdb> 22 atoms in block 92
Block first atom: 2088
Blocpdb> 28 atoms in block 93
Block first atom: 2110
Blocpdb> 29 atoms in block 94
Block first atom: 2138
Blocpdb> 26 atoms in block 95
Block first atom: 2167
Blocpdb> 21 atoms in block 96
Block first atom: 2193
Blocpdb> 24 atoms in block 97
Block first atom: 2214
Blocpdb> 21 atoms in block 98
Block first atom: 2238
Blocpdb> 21 atoms in block 99
Block first atom: 2259
Blocpdb> 24 atoms in block 100
Block first atom: 2280
Blocpdb> 25 atoms in block 101
Block first atom: 2304
Blocpdb> 17 atoms in block 102
Block first atom: 2329
Blocpdb> 23 atoms in block 103
Block first atom: 2346
Blocpdb> 13 atoms in block 104
Block first atom: 2369
Blocpdb> 18 atoms in block 105
Block first atom: 2382
Blocpdb> 21 atoms in block 106
Block first atom: 2400
Blocpdb> 23 atoms in block 107
Block first atom: 2421
Blocpdb> 31 atoms in block 108
Block first atom: 2444
Blocpdb> 18 atoms in block 109
Block first atom: 2475
Blocpdb> 26 atoms in block 110
Block first atom: 2493
Blocpdb> 23 atoms in block 111
Block first atom: 2519
Blocpdb> 19 atoms in block 112
Block first atom: 2542
Blocpdb> 22 atoms in block 113
Block first atom: 2561
Blocpdb> 21 atoms in block 114
Block first atom: 2583
Blocpdb> 21 atoms in block 115
Block first atom: 2604
Blocpdb> 23 atoms in block 116
Block first atom: 2625
Blocpdb> 19 atoms in block 117
Block first atom: 2648
Blocpdb> 29 atoms in block 118
Block first atom: 2667
Blocpdb> 20 atoms in block 119
Block first atom: 2696
Blocpdb> 20 atoms in block 120
Block first atom: 2716
Blocpdb> 18 atoms in block 121
Block first atom: 2736
Blocpdb> 14 atoms in block 122
Block first atom: 2754
Blocpdb> 15 atoms in block 123
Block first atom: 2768
Blocpdb> 19 atoms in block 124
Block first atom: 2783
Blocpdb> 19 atoms in block 125
Block first atom: 2802
Blocpdb> 33 atoms in block 126
Block first atom: 2821
Blocpdb> 23 atoms in block 127
Block first atom: 2854
Blocpdb> 24 atoms in block 128
Block first atom: 2877
Blocpdb> 21 atoms in block 129
Block first atom: 2901
Blocpdb> 20 atoms in block 130
Block first atom: 2922
Blocpdb> 20 atoms in block 131
Block first atom: 2942
Blocpdb> 23 atoms in block 132
Block first atom: 2962
Blocpdb> 23 atoms in block 133
Block first atom: 2985
Blocpdb> 25 atoms in block 134
Block first atom: 3008
Blocpdb> 28 atoms in block 135
Block first atom: 3033
Blocpdb> 22 atoms in block 136
Block first atom: 3061
Blocpdb> 25 atoms in block 137
Block first atom: 3083
Blocpdb> 23 atoms in block 138
Block first atom: 3108
Blocpdb> 25 atoms in block 139
Block first atom: 3131
Blocpdb> 18 atoms in block 140
Block first atom: 3156
Blocpdb> 30 atoms in block 141
Block first atom: 3174
Blocpdb> 23 atoms in block 142
Block first atom: 3204
Blocpdb> 15 atoms in block 143
Block first atom: 3227
Blocpdb> 21 atoms in block 144
Block first atom: 3242
Blocpdb> 27 atoms in block 145
Block first atom: 3263
Blocpdb> 24 atoms in block 146
Block first atom: 3290
Blocpdb> 21 atoms in block 147
Block first atom: 3314
Blocpdb> 22 atoms in block 148
Block first atom: 3335
Blocpdb> 25 atoms in block 149
Block first atom: 3357
Blocpdb> 22 atoms in block 150
Block first atom: 3382
Blocpdb> 19 atoms in block 151
Block first atom: 3404
Blocpdb> 20 atoms in block 152
Block first atom: 3423
Blocpdb> 19 atoms in block 153
Block first atom: 3443
Blocpdb> 20 atoms in block 154
Block first atom: 3462
Blocpdb> 17 atoms in block 155
Block first atom: 3482
Blocpdb> 24 atoms in block 156
Block first atom: 3499
Blocpdb> 20 atoms in block 157
Block first atom: 3523
Blocpdb> 28 atoms in block 158
Block first atom: 3543
Blocpdb> 19 atoms in block 159
Block first atom: 3571
Blocpdb> 27 atoms in block 160
Block first atom: 3590
Blocpdb> 27 atoms in block 161
Block first atom: 3617
Blocpdb> 19 atoms in block 162
Block first atom: 3644
Blocpdb> 24 atoms in block 163
Block first atom: 3663
Blocpdb> 18 atoms in block 164
Block first atom: 3687
Blocpdb> 18 atoms in block 165
Block first atom: 3705
Blocpdb> 18 atoms in block 166
Block first atom: 3723
Blocpdb> 15 atoms in block 167
Block first atom: 3741
Blocpdb> 24 atoms in block 168
Block first atom: 3756
Blocpdb> 25 atoms in block 169
Block first atom: 3780
Blocpdb> 19 atoms in block 170
Block first atom: 3805
Blocpdb> 21 atoms in block 171
Block first atom: 3824
Blocpdb> 20 atoms in block 172
Block first atom: 3845
Blocpdb> 19 atoms in block 173
Block first atom: 3865
Blocpdb> 23 atoms in block 174
Block first atom: 3884
Blocpdb> 22 atoms in block 175
Block first atom: 3907
Blocpdb> 21 atoms in block 176
Block first atom: 3929
Blocpdb> 15 atoms in block 177
Block first atom: 3950
Blocpdb> 23 atoms in block 178
Block first atom: 3965
Blocpdb> 20 atoms in block 179
Block first atom: 3988
Blocpdb> 14 atoms in block 180
Block first atom: 4008
Blocpdb> 25 atoms in block 181
Block first atom: 4022
Blocpdb> 24 atoms in block 182
Block first atom: 4047
Blocpdb> 18 atoms in block 183
Block first atom: 4071
Blocpdb> 18 atoms in block 184
Block first atom: 4089
Blocpdb> 16 atoms in block 185
Block first atom: 4107
Blocpdb> 16 atoms in block 186
Block first atom: 4123
Blocpdb> 7 atoms in block 187
Block first atom: 4138
Blocpdb> 187 blocks.
Blocpdb> At most, 34 atoms in each of them.
Blocpdb> At least, 6 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> 1474797 matrix lines read.
Prepmat> Matrix order = 12435
Prepmat> Matrix trace = 3222100.0000
Prepmat> Last element read: 12435 12435 211.3418
Prepmat> 17579 lines saved.
Prepmat> 15852 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: 4145
RTB> Total mass = 4145.0000
RTB> Number of atoms found in matrix: 4145
RTB> Number of blocks = 187
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 224200.9913
RTB> 59331 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 = 1122
Diagstd> Nb of non-zero elements: 59331
Diagstd> Projected matrix trace = 224200.9913
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1122 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 224200.9913
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 0.2234110 0.3153244 0.3581553 1.1497976
1.5861145 1.8146226 2.1477005 2.7776574 3.3831511
4.6007715 4.9795612 5.0141067 5.5313411 6.3161517
6.6962830 7.8190495 8.3625523 8.7579307 9.1128819
9.3753172 9.9176816 10.7299069 11.0019680 11.2761322
11.7342568 12.2163421 12.7039061 12.9476720 14.0851595
14.5806525 15.0185797 16.0020983 16.7803293 17.3512409
17.4736460 17.6929674 18.1279654 18.5864422 19.0135699
19.2385191 19.9916092 20.4844397 20.9145301 21.2856557
21.9205832 22.1006368 22.4932528 22.7945984 23.2220121
23.6785968 24.2043313 24.9294227 25.2791534 25.5768645
26.1278720 26.6954025 27.1459292 28.1290001 28.7261174
29.0736855 29.2809040 29.5909985 29.9844656 30.4322659
30.9917046 31.5709011 31.9836693 32.1889688 32.9135776
33.6995088 33.8074257 34.4975200 35.0346451 35.5079217
36.0958930 36.6951816 37.0380436 37.6277625 37.8669489
38.2303322 38.3500017 38.6465758 39.0402863 39.4982814
39.7706654 40.5297900 40.9278822 41.2069178 41.8621373
42.3833173 42.6414118 42.9667898 43.3787529 43.6268023
44.0995476 45.0723815 45.3768763 46.4962710 46.6251454
47.0610263
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034322 0.0034333 0.0034338 0.0034342 0.0034349
0.0034362 51.3271978 60.9781229 64.9876711 116.4410124
136.7610867 146.2811756 159.1410200 180.9816831 199.7358292
232.9220543 242.3208698 243.1599620 255.3938890 272.9113246
281.0037922 303.6492835 314.0253458 321.3631177 327.8107195
332.4974087 341.9797268 355.7076925 360.1890192 364.6492795
371.9829848 379.5472719 387.0471886 390.7429259 407.5455591
414.6519960 420.8329263 434.3939295 444.8314866 452.3353718
453.9280782 456.7679453 462.3488824 468.1590389 473.5077729
476.3005677 485.5334523 491.4816694 496.6144317 501.0012356
508.4184850 510.5022654 515.0168197 518.4552216 523.2933352
528.4127180 534.2466711 542.1898595 545.9797593 549.1853347
555.0694185 561.0654386 565.7800588 575.9336155 582.0144217
585.5248404 587.6077576 590.7110435 594.6253729 599.0491070
604.5302155 610.1530257 614.1287423 616.0966005 622.9925110
630.3867348 631.3952802 637.8069065 642.7530430 647.0798962
652.4153578 657.8089849 660.8749638 666.1154046 668.2291807
671.4277955 672.4778341 675.0730809 678.5030077 682.4712798
684.8204313 691.3253096 694.7121854 697.0763460 702.5964952
706.9565998 709.1058493 711.8061465 715.2103843 717.2523358
721.1279808 729.0386162 731.4970487 740.4646708 741.4901392
744.9480322
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4145
Rtb_to_modes> Number of blocs = 187
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: 9.9900E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9963E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9988E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0013E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.2234
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.3153
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3582
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.150
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.586
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.815
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.148
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.778
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 3.383
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.601
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 4.980
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 5.014
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 5.531
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 6.316
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 6.696
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 7.819
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 8.363
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 8.758
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 9.113
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 9.375
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 9.918
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 10.73
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 11.00
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 11.28
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 11.73
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 12.22
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 12.70
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 12.95
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 14.09
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 14.58
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 15.02
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 16.00
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 16.78
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 17.35
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 17.47
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 17.69
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 18.13
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 18.59
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 19.01
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 19.24
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 19.99
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 20.48
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 20.91
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 21.29
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 21.92
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 22.10
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 22.49
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 22.79
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 23.22
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 23.68
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 24.20
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 24.93
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 25.28
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 25.58
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 26.13
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 26.70
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 27.15
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 28.13
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 28.73
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 29.07
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 29.28
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 29.59
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 29.98
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 30.43
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 30.99
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 31.57
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 31.98
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 32.19
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 32.91
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 33.70
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 33.81
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 34.50
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 35.03
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 35.51
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 36.10
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 36.70
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 37.04
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 37.63
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 37.87
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 38.23
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 38.35
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 38.65
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 39.04
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 39.50
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 39.77
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 40.53
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 40.93
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 41.21
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 41.86
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 42.38
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 42.64
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 42.97
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 43.38
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 43.63
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 44.10
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 45.07
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 45.38
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 46.50
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 46.63
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 47.06
Rtb_to_modes> 106 vectors, with 1122 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 0.99999 1.00000 1.00000
0.99999 0.99999 0.99999 1.00000 0.99999
1.00001 0.99999 0.99998 0.99996 1.00001
0.99998 0.99998 1.00002 1.00000 0.99997
1.00000 1.00000 0.99998 0.99998 0.99999
0.99999 1.00000 1.00000 1.00000 0.99999
0.99997 1.00002 1.00001 1.00000 0.99999
0.99999 0.99998 0.99999 1.00000 0.99998
1.00002 1.00000 0.99998 1.00000 0.99999
1.00000 1.00000 1.00001 1.00001 1.00001
0.99997 1.00000 1.00000 0.99999 0.99997
0.99998 0.99999 1.00003 1.00000 0.99998
1.00001 1.00001 1.00001 1.00000 1.00001
0.99999 1.00003 1.00000 0.99998 1.00000
1.00001 1.00000 1.00000 1.00002 0.99999
0.99998 1.00002 0.99999 0.99999 0.99998
1.00000 1.00000 0.99999 0.99999 1.00000
1.00001 1.00002 0.99999 1.00000 1.00001
0.99999 1.00000 0.99998 1.00001 0.99997
1.00002 1.00000 1.00001 1.00001 0.99999
0.99999 1.00001 0.99998 1.00000 1.00003
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 74610 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 0.99999 1.00000 1.00000
0.99999 0.99999 0.99999 1.00000 0.99999
1.00001 0.99999 0.99998 0.99996 1.00001
0.99998 0.99998 1.00002 1.00000 0.99997
1.00000 1.00000 0.99998 0.99998 0.99999
0.99999 1.00000 1.00000 1.00000 0.99999
0.99997 1.00002 1.00001 1.00000 0.99999
0.99999 0.99998 0.99999 1.00000 0.99998
1.00002 1.00000 0.99998 1.00000 0.99999
1.00000 1.00000 1.00001 1.00001 1.00001
0.99997 1.00000 1.00000 0.99999 0.99997
0.99998 0.99999 1.00003 1.00000 0.99998
1.00001 1.00001 1.00001 1.00000 1.00001
0.99999 1.00003 1.00000 0.99998 1.00000
1.00001 1.00000 1.00000 1.00002 0.99999
0.99998 1.00002 0.99999 0.99999 0.99998
1.00000 1.00000 0.99999 0.99999 1.00000
1.00001 1.00002 0.99999 1.00000 1.00001
0.99999 1.00000 0.99998 1.00001 0.99997
1.00002 1.00000 1.00001 1.00001 0.99999
0.99999 1.00001 0.99998 1.00000 1.00003
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000 0.000
Vector 4:-0.000 0.000 0.000
Vector 5:-0.000 0.000-0.000-0.000
Vector 6: 0.000 0.000 0.000 0.000 0.000
Vector 7:-0.000-0.000 0.000-0.000-0.000 0.000
Vector 8: 0.000-0.000-0.000-0.000 0.000-0.000 0.000
Vector 9:-0.000-0.000 0.000-0.000 0.000 0.000-0.000 0.000
Vector 10:-0.000 0.000 0.000 0.000-0.000-0.000-0.000 0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240220112347191596.eigenfacs
Openam> file on opening on unit 10:
240220112347191596.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240220112347191596.atom
Openam> file on opening on unit 11:
240220112347191596.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 = 555
First residue number = 451
Last residue number = 1541
Number of atoms found = 4145
Mean number per residue = 7.5
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9900E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9963E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9988E-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: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0013E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2234
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3153
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3582
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.150
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.586
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.815
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.148
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.778
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 3.383
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.601
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 4.980
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 5.014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 5.531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 6.316
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 6.696
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 7.819
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 8.363
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 8.758
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 9.113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 9.375
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 9.918
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 10.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 11.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 11.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 11.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 12.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 12.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 12.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 14.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 14.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 15.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 16.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 16.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 17.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 17.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 17.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 18.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 18.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 19.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 19.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 19.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 20.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 20.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 21.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 21.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 22.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 22.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 22.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 23.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 23.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 24.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 24.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 25.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 25.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 26.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 26.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 27.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 28.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 28.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 29.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 29.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 29.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 29.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 30.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 30.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 31.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 31.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 32.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 32.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 33.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 33.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 34.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 35.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 35.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 36.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 36.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 37.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 37.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 37.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 38.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 38.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 38.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 39.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 39.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 39.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 40.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 40.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 41.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 41.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 42.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 42.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 42.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 43.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 43.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 44.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 45.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 45.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 46.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 46.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 47.06
Bfactors> 106 vectors, 12435 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 : 0.223400
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= -0.101 for 555 C-alpha atoms.
Bfactors> = 0.070 +/- 0.06
Bfactors> = 69.419 +/- 42.37
Bfactors> Shiftng-fct= 69.349
Bfactors> Scaling-fct= 715.748
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240220112347191596 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-80
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-60
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-40
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-20
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=0
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=20
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=40
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=60
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=80
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=100
240220112347191596.eigenfacs
240220112347191596.atom
making animated gifs
11 models are in 240220112347191596.7.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 240220112347191596.7.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 240220112347191596.7.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 240220112347191596 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-80
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-60
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-40
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-20
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=0
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=20
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=40
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=60
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=80
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=100
240220112347191596.eigenfacs
240220112347191596.atom
making animated gifs
11 models are in 240220112347191596.8.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 240220112347191596.8.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 240220112347191596.8.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 240220112347191596 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-80
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-60
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-40
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-20
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=0
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=20
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=40
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=60
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=80
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=100
240220112347191596.eigenfacs
240220112347191596.atom
making animated gifs
11 models are in 240220112347191596.9.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 240220112347191596.9.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 240220112347191596.9.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 240220112347191596 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-80
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-60
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-40
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-20
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=0
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=20
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=40
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=60
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=80
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=100
240220112347191596.eigenfacs
240220112347191596.atom
making animated gifs
11 models are in 240220112347191596.10.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 240220112347191596.10.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 240220112347191596.10.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 240220112347191596 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-80
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-60
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-40
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=-20
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=0
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=20
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=40
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=60
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=80
240220112347191596.eigenfacs
240220112347191596.atom
calculating perturbed structure for DQ=100
240220112347191596.eigenfacs
240220112347191596.atom
making animated gifs
11 models are in 240220112347191596.11.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 240220112347191596.11.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 240220112347191596.11.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
240220112347191596.10.pdb
240220112347191596.11.pdb
240220112347191596.7.pdb
240220112347191596.8.pdb
240220112347191596.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m25.340s
user 0m25.263s
sys 0m0.060s
../../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: 240220112347191596.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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