*** INTRAMOLECULAR OXIDOREDUCTASE 23-APR-91 7TIM ***
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 = 240110225656578313.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 240110225656578313.atom to be opened.
Openam> File opened: 240110225656578313.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 = 494
First residue number = 2
Last residue number = 248
Number of atoms found = 3766
Mean number per residue = 7.6
Pdbmat> Coordinate statistics:
= 73.588380 +/- 19.162659 From: 34.916000 To: 112.734000
= 40.741266 +/- 10.574792 From: 16.231000 To: 66.342000
= 51.429795 +/- 10.531375 From: 23.687000 To: 81.073000
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 2.3091 % Filled.
Pdbmat> 1473829 non-zero elements.
Pdbmat> 161272 atom-atom interactions.
Pdbmat> Number per atom= 85.65 +/- 21.76
Maximum number = 131
Minimum number = 9
Pdbmat> Matrix trace = 3.225440E+06
Pdbmat> Larger element = 490.291
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
494 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 = 240110225656578313.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 240110225656578313.atom to be opened.
Openam> file on opening on unit 11:
240110225656578313.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3766 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> 494 residues.
Blocpdb> 23 atoms in block 1
Block first atom: 1
Blocpdb> 29 atoms in block 2
Block first atom: 24
Blocpdb> 16 atoms in block 3
Block first atom: 53
Blocpdb> 28 atoms in block 4
Block first atom: 69
Blocpdb> 18 atoms in block 5
Block first atom: 97
Blocpdb> 24 atoms in block 6
Block first atom: 115
Blocpdb> 26 atoms in block 7
Block first atom: 139
Blocpdb> 24 atoms in block 8
Block first atom: 165
Blocpdb> 27 atoms in block 9
Block first atom: 189
Blocpdb> 18 atoms in block 10
Block first atom: 216
Blocpdb> 24 atoms in block 11
Block first atom: 234
Blocpdb> 24 atoms in block 12
Block first atom: 258
Blocpdb> 22 atoms in block 13
Block first atom: 282
Blocpdb> 20 atoms in block 14
Block first atom: 304
Blocpdb> 24 atoms in block 15
Block first atom: 324
Blocpdb> 28 atoms in block 16
Block first atom: 348
Blocpdb> 19 atoms in block 17
Block first atom: 376
Blocpdb> 24 atoms in block 18
Block first atom: 395
Blocpdb> 25 atoms in block 19
Block first atom: 419
Blocpdb> 21 atoms in block 20
Block first atom: 444
Blocpdb> 18 atoms in block 21
Block first atom: 465
Blocpdb> 25 atoms in block 22
Block first atom: 483
Blocpdb> 22 atoms in block 23
Block first atom: 508
Blocpdb> 15 atoms in block 24
Block first atom: 530
Blocpdb> 22 atoms in block 25
Block first atom: 545
Blocpdb> 23 atoms in block 26
Block first atom: 567
Blocpdb> 24 atoms in block 27
Block first atom: 590
Blocpdb> 25 atoms in block 28
Block first atom: 614
Blocpdb> 16 atoms in block 29
Block first atom: 639
Blocpdb> 30 atoms in block 30
Block first atom: 655
Blocpdb> 20 atoms in block 31
Block first atom: 685
Blocpdb> 25 atoms in block 32
Block first atom: 705
Blocpdb> 28 atoms in block 33
Block first atom: 730
Blocpdb> 33 atoms in block 34
Block first atom: 758
Blocpdb> 25 atoms in block 35
Block first atom: 791
Blocpdb> 28 atoms in block 36
Block first atom: 816
Blocpdb> 22 atoms in block 37
Block first atom: 844
Blocpdb> 27 atoms in block 38
Block first atom: 866
Blocpdb> 17 atoms in block 39
Block first atom: 893
Blocpdb> 20 atoms in block 40
Block first atom: 910
Blocpdb> 19 atoms in block 41
Block first atom: 930
Blocpdb> 22 atoms in block 42
Block first atom: 949
Blocpdb> 20 atoms in block 43
Block first atom: 971
Blocpdb> 26 atoms in block 44
Block first atom: 991
Blocpdb> 23 atoms in block 45
Block first atom: 1017
Blocpdb> 20 atoms in block 46
Block first atom: 1040
Blocpdb> 23 atoms in block 47
Block first atom: 1060
Blocpdb> 27 atoms in block 48
Block first atom: 1083
Blocpdb> 25 atoms in block 49
Block first atom: 1110
Blocpdb> 20 atoms in block 50
Block first atom: 1135
Blocpdb> 25 atoms in block 51
Block first atom: 1155
Blocpdb> 31 atoms in block 52
Block first atom: 1180
Blocpdb> 22 atoms in block 53
Block first atom: 1211
Blocpdb> 19 atoms in block 54
Block first atom: 1233
Blocpdb> 28 atoms in block 55
Block first atom: 1252
Blocpdb> 26 atoms in block 56
Block first atom: 1280
Blocpdb> 19 atoms in block 57
Block first atom: 1306
Blocpdb> 17 atoms in block 58
Block first atom: 1325
Blocpdb> 19 atoms in block 59
Block first atom: 1342
Blocpdb> 22 atoms in block 60
Block first atom: 1361
Blocpdb> 25 atoms in block 61
Block first atom: 1383
Blocpdb> 21 atoms in block 62
Block first atom: 1408
Blocpdb> 28 atoms in block 63
Block first atom: 1429
Blocpdb> 24 atoms in block 64
Block first atom: 1457
Blocpdb> 23 atoms in block 65
Block first atom: 1481
Blocpdb> 21 atoms in block 66
Block first atom: 1504
Blocpdb> 16 atoms in block 67
Block first atom: 1525
Blocpdb> 28 atoms in block 68
Block first atom: 1541
Blocpdb> 28 atoms in block 69
Block first atom: 1569
Blocpdb> 14 atoms in block 70
Block first atom: 1597
Blocpdb> 17 atoms in block 71
Block first atom: 1611
Blocpdb> 19 atoms in block 72
Block first atom: 1628
Blocpdb> 25 atoms in block 73
Block first atom: 1647
Blocpdb> 26 atoms in block 74
Block first atom: 1672
Blocpdb> 20 atoms in block 75
Block first atom: 1698
Blocpdb> 23 atoms in block 76
Block first atom: 1718
Blocpdb> 19 atoms in block 77
Block first atom: 1741
Blocpdb> 15 atoms in block 78
Block first atom: 1760
Blocpdb> 24 atoms in block 79
Block first atom: 1775
Blocpdb> 27 atoms in block 80
Block first atom: 1799
Blocpdb> 24 atoms in block 81
Block first atom: 1826
Blocpdb> 25 atoms in block 82
Block first atom: 1850
Blocpdb> 9 atoms in block 83
Block first atom: 1875
Blocpdb> 23 atoms in block 84
Block first atom: 1884
Blocpdb> 29 atoms in block 85
Block first atom: 1907
Blocpdb> 16 atoms in block 86
Block first atom: 1936
Blocpdb> 28 atoms in block 87
Block first atom: 1952
Blocpdb> 18 atoms in block 88
Block first atom: 1980
Blocpdb> 24 atoms in block 89
Block first atom: 1998
Blocpdb> 26 atoms in block 90
Block first atom: 2022
Blocpdb> 24 atoms in block 91
Block first atom: 2048
Blocpdb> 27 atoms in block 92
Block first atom: 2072
Blocpdb> 18 atoms in block 93
Block first atom: 2099
Blocpdb> 24 atoms in block 94
Block first atom: 2117
Blocpdb> 24 atoms in block 95
Block first atom: 2141
Blocpdb> 22 atoms in block 96
Block first atom: 2165
Blocpdb> 20 atoms in block 97
Block first atom: 2187
Blocpdb> 24 atoms in block 98
Block first atom: 2207
Blocpdb> 28 atoms in block 99
Block first atom: 2231
Blocpdb> 19 atoms in block 100
Block first atom: 2259
Blocpdb> 24 atoms in block 101
Block first atom: 2278
Blocpdb> 25 atoms in block 102
Block first atom: 2302
Blocpdb> 21 atoms in block 103
Block first atom: 2327
Blocpdb> 18 atoms in block 104
Block first atom: 2348
Blocpdb> 25 atoms in block 105
Block first atom: 2366
Blocpdb> 22 atoms in block 106
Block first atom: 2391
Blocpdb> 15 atoms in block 107
Block first atom: 2413
Blocpdb> 22 atoms in block 108
Block first atom: 2428
Blocpdb> 23 atoms in block 109
Block first atom: 2450
Blocpdb> 24 atoms in block 110
Block first atom: 2473
Blocpdb> 25 atoms in block 111
Block first atom: 2497
Blocpdb> 16 atoms in block 112
Block first atom: 2522
Blocpdb> 30 atoms in block 113
Block first atom: 2538
Blocpdb> 20 atoms in block 114
Block first atom: 2568
Blocpdb> 25 atoms in block 115
Block first atom: 2588
Blocpdb> 28 atoms in block 116
Block first atom: 2613
Blocpdb> 33 atoms in block 117
Block first atom: 2641
Blocpdb> 25 atoms in block 118
Block first atom: 2674
Blocpdb> 28 atoms in block 119
Block first atom: 2699
Blocpdb> 22 atoms in block 120
Block first atom: 2727
Blocpdb> 27 atoms in block 121
Block first atom: 2749
Blocpdb> 17 atoms in block 122
Block first atom: 2776
Blocpdb> 20 atoms in block 123
Block first atom: 2793
Blocpdb> 19 atoms in block 124
Block first atom: 2813
Blocpdb> 22 atoms in block 125
Block first atom: 2832
Blocpdb> 20 atoms in block 126
Block first atom: 2854
Blocpdb> 26 atoms in block 127
Block first atom: 2874
Blocpdb> 23 atoms in block 128
Block first atom: 2900
Blocpdb> 20 atoms in block 129
Block first atom: 2923
Blocpdb> 23 atoms in block 130
Block first atom: 2943
Blocpdb> 27 atoms in block 131
Block first atom: 2966
Blocpdb> 25 atoms in block 132
Block first atom: 2993
Blocpdb> 20 atoms in block 133
Block first atom: 3018
Blocpdb> 25 atoms in block 134
Block first atom: 3038
Blocpdb> 31 atoms in block 135
Block first atom: 3063
Blocpdb> 22 atoms in block 136
Block first atom: 3094
Blocpdb> 19 atoms in block 137
Block first atom: 3116
Blocpdb> 28 atoms in block 138
Block first atom: 3135
Blocpdb> 26 atoms in block 139
Block first atom: 3163
Blocpdb> 19 atoms in block 140
Block first atom: 3189
Blocpdb> 17 atoms in block 141
Block first atom: 3208
Blocpdb> 19 atoms in block 142
Block first atom: 3225
Blocpdb> 22 atoms in block 143
Block first atom: 3244
Blocpdb> 25 atoms in block 144
Block first atom: 3266
Blocpdb> 21 atoms in block 145
Block first atom: 3291
Blocpdb> 28 atoms in block 146
Block first atom: 3312
Blocpdb> 24 atoms in block 147
Block first atom: 3340
Blocpdb> 23 atoms in block 148
Block first atom: 3364
Blocpdb> 21 atoms in block 149
Block first atom: 3387
Blocpdb> 16 atoms in block 150
Block first atom: 3408
Blocpdb> 28 atoms in block 151
Block first atom: 3424
Blocpdb> 28 atoms in block 152
Block first atom: 3452
Blocpdb> 14 atoms in block 153
Block first atom: 3480
Blocpdb> 17 atoms in block 154
Block first atom: 3494
Blocpdb> 19 atoms in block 155
Block first atom: 3511
Blocpdb> 25 atoms in block 156
Block first atom: 3530
Blocpdb> 26 atoms in block 157
Block first atom: 3555
Blocpdb> 20 atoms in block 158
Block first atom: 3581
Blocpdb> 23 atoms in block 159
Block first atom: 3601
Blocpdb> 19 atoms in block 160
Block first atom: 3624
Blocpdb> 15 atoms in block 161
Block first atom: 3643
Blocpdb> 24 atoms in block 162
Block first atom: 3658
Blocpdb> 27 atoms in block 163
Block first atom: 3682
Blocpdb> 24 atoms in block 164
Block first atom: 3709
Blocpdb> 25 atoms in block 165
Block first atom: 3733
Blocpdb> 9 atoms in block 166
Block first atom: 3757
Blocpdb> 166 blocks.
Blocpdb> At most, 33 atoms in each of them.
Blocpdb> At least, 9 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> 1473995 matrix lines read.
Prepmat> Matrix order = 11298
Prepmat> Matrix trace = 3225440.0000
Prepmat> Last element read: 11298 11298 55.5482
Prepmat> 13862 lines saved.
Prepmat> 12056 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: 3766
RTB> Total mass = 3766.0000
RTB> Number of atoms found in matrix: 3766
RTB> Number of blocks = 166
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 228149.4555
RTB> 62490 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 = 996
Diagstd> Nb of non-zero elements: 62490
Diagstd> Projected matrix trace = 228149.4555
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 996 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 228149.4555
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.6893322 1.7952348 1.9264790 5.6277132
5.8332473 6.8694658 8.3699934 8.6235984 11.3291193
12.3379816 12.7791655 13.8802546 15.7758479 16.4467538
16.7581180 18.2474435 18.3989251 19.9748077 21.0864954
21.5730439 22.8181217 23.1812079 23.6521939 24.8750834
25.5194404 26.0453511 26.4424781 27.4165274 28.0011406
28.4556253 29.0603767 29.8041756 30.3022573 30.9808016
31.8549073 33.0453516 34.0575932 34.8174863 35.6079856
36.3743182 36.7119708 37.0007045 37.9936210 38.6700762
39.0938970 39.6475105 39.9043913 41.1368176 41.2207188
42.5789156 43.6878573 43.9766175 44.6815509 44.7983527
45.1584265 46.2891720 46.5886960 47.1077284 47.5365556
48.3772115 49.1973184 49.5311967 50.3631105 50.6002552
50.7109945 52.2276406 52.8616242 53.3337035 53.6143438
55.0018504 55.6752714 55.8763246 56.7321053 57.2170757
57.9279653 58.3071596 58.8795681 59.2613748 60.0913324
60.6097644 60.7970724 62.0115220 62.4703577 62.7558397
63.5067453 63.7357710 64.6295944 65.0702138 65.5834890
66.0221253 66.7176680 66.9258938 67.7865039 68.1556326
68.3626195 69.4724104 69.7942872 70.0559326 70.4782348
71.1511325
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034323 0.0034330 0.0034333 0.0034342 0.0034346
0.0034358 141.1408760 145.4976283 150.7222692 257.6091344
262.2711214 284.6143307 314.1650273 318.8890030 365.5050276
381.4321874 388.1919528 404.5702996 431.3120939 440.3878984
444.5369874 463.8700089 465.7914434 485.3293816 498.6519051
504.3720286 518.7226669 522.8333849 528.1180313 541.5986248
548.5684847 554.1921739 558.4012183 568.5929928 574.6231803
579.2677452 585.3908098 592.8350015 597.7681493 604.4238677
612.8912951 624.2383825 633.7270679 640.7579260 647.9910135
654.9267226 657.9594514 660.5417563 669.3459246 675.2783004
678.9687128 683.7592927 685.9707941 696.4831685 697.1930679
708.5860184 717.7540517 720.1221863 725.8709232 726.8190515
729.7341667 738.8137786 741.2002513 745.3175740 748.7022451
755.2934109 761.6685013 764.2486683 770.6400094 772.4522349
773.2970337 784.7755856 789.5243553 793.0419327 795.1256756
805.3486416 810.2638286 811.7255127 817.9179334 821.4064510
826.4934525 829.1941376 833.2543474 835.9516159 841.7850280
845.4084380 846.7137525 855.1286862 858.2864905 860.2453877
865.3767209 866.9357295 872.9934709 875.9642806 879.4123063
882.3482539 886.9838434 888.3669033 894.0604797 896.4914601
897.8517385 905.1102099 907.2045473 908.9034247 911.6387758
915.9804166
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3766
Rtb_to_modes> Number of blocs = 166
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: 9.9905E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9945E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9962E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0011E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.689
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.795
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.926
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 5.628
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.833
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 6.869
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 8.370
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 8.624
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 11.33
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 12.34
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 12.78
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 13.88
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 15.78
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 16.45
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 16.76
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 18.25
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 18.40
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 19.97
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 21.09
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 21.57
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 22.82
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 23.18
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 23.65
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 24.88
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 25.52
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 26.05
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 26.44
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 27.42
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 28.00
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 28.46
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 29.06
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 29.80
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 30.30
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 30.98
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 31.85
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 33.05
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 34.06
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 34.82
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 35.61
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 36.37
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 36.71
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 37.00
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 37.99
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 38.67
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 39.09
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 39.65
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 39.90
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 41.14
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 41.22
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 42.58
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 43.69
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 43.98
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 44.68
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 44.80
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 45.16
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 46.29
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 46.59
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 47.11
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 47.54
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 48.38
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 49.20
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 49.53
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 50.36
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 50.60
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 50.71
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 52.23
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 52.86
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 53.33
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 53.61
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 55.00
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 55.68
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 55.88
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 56.73
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 57.22
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 57.93
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 58.31
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 58.88
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 59.26
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 60.09
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 60.61
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 60.80
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 62.01
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 62.47
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 62.76
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 63.51
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 63.74
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 64.63
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 65.07
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 65.58
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 66.02
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 66.72
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 66.93
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 67.79
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 68.16
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 68.36
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 69.47
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 69.79
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 70.06
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 70.48
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 71.15
Rtb_to_modes> 106 vectors, with 996 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00001 1.00000 1.00001 0.99999
1.00000 1.00001 1.00001 1.00001 1.00001
0.99998 0.99999 0.99999 1.00002 1.00003
0.99999 1.00000 0.99999 1.00000 1.00001
0.99999 1.00000 1.00001 1.00001 0.99999
1.00000 0.99997 0.99998 1.00002 0.99998
1.00002 0.99999 1.00000 1.00000 0.99999
1.00001 0.99998 0.99999 1.00001 1.00002
0.99999 0.99999 1.00001 1.00000 1.00003
1.00003 1.00001 1.00001 1.00001 0.99999
1.00002 1.00000 0.99998 0.99999 0.99999
0.99996 0.99999 0.99997 0.99999 1.00000
0.99999 0.99999 1.00001 0.99998 1.00000
0.99999 0.99999 1.00002 1.00000 1.00001
1.00001 1.00002 1.00001 1.00000 0.99999
0.99999 1.00002 1.00001 0.99999 1.00001
0.99999 1.00000 1.00000 1.00000 1.00000
1.00000 1.00000 0.99999 1.00002 1.00000
1.00000 1.00001 1.00000 1.00000 1.00000
1.00001 1.00001 1.00002 1.00000 0.99999
1.00000 1.00000 0.99999 0.99999 0.99998
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 67788 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00001 1.00000 1.00001 0.99999
1.00000 1.00001 1.00001 1.00001 1.00001
0.99998 0.99999 0.99999 1.00002 1.00003
0.99999 1.00000 0.99999 1.00000 1.00001
0.99999 1.00000 1.00001 1.00001 0.99999
1.00000 0.99997 0.99998 1.00002 0.99998
1.00002 0.99999 1.00000 1.00000 0.99999
1.00001 0.99998 0.99999 1.00001 1.00002
0.99999 0.99999 1.00001 1.00000 1.00003
1.00003 1.00001 1.00001 1.00001 0.99999
1.00002 1.00000 0.99998 0.99999 0.99999
0.99996 0.99999 0.99997 0.99999 1.00000
0.99999 0.99999 1.00001 0.99998 1.00000
0.99999 0.99999 1.00002 1.00000 1.00001
1.00001 1.00002 1.00001 1.00000 0.99999
0.99999 1.00002 1.00001 0.99999 1.00001
0.99999 1.00000 1.00000 1.00000 1.00000
1.00000 1.00000 0.99999 1.00002 1.00000
1.00000 1.00001 1.00000 1.00000 1.00000
1.00001 1.00001 1.00002 1.00000 0.99999
1.00000 1.00000 0.99999 0.99999 0.99998
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> 240110225656578313.eigenfacs
Openam> file on opening on unit 10:
240110225656578313.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240110225656578313.atom
Openam> file on opening on unit 11:
240110225656578313.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 = 494
First residue number = 2
Last residue number = 248
Number of atoms found = 3766
Mean number per residue = 7.6
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9905E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9945E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9962E-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: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.689
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.926
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 5.628
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.833
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 6.869
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 8.370
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 8.624
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 11.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 12.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 12.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 13.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 15.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 16.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 16.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 18.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 18.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 19.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 21.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 21.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 22.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 23.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 23.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 24.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 25.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 26.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 26.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 27.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 28.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 28.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 29.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 29.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 30.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 30.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 31.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 33.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 34.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 34.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 35.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 36.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 36.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 37.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 37.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 38.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 39.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 39.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 39.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 41.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 41.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 42.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 43.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 43.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 44.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 44.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 45.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 46.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 46.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 47.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 47.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 48.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 49.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 49.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 50.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 50.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 50.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 52.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 52.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 53.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 53.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 55.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 55.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 55.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 56.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 57.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 57.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 58.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 58.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 59.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 60.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 60.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 60.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 62.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 62.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 62.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 63.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 63.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 64.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 65.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 65.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 66.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 66.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 66.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 67.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 68.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 68.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 69.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 69.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 70.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 70.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 71.15
Bfactors> 106 vectors, 11298 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 1.689000
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= 0.584 for 494 C-alpha atoms.
Bfactors> = 0.019 +/- 0.02
Bfactors> = 12.878 +/- 5.04
Bfactors> Shiftng-fct= 12.859
Bfactors> Scaling-fct= 327.551
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240110225656578313 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-80
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-60
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-40
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-20
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=0
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=20
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=40
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=60
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=80
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=100
240110225656578313.eigenfacs
240110225656578313.atom
making animated gifs
11 models are in 240110225656578313.7.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 240110225656578313.7.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 240110225656578313.7.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 240110225656578313 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-80
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-60
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-40
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-20
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=0
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=20
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=40
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=60
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=80
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=100
240110225656578313.eigenfacs
240110225656578313.atom
making animated gifs
11 models are in 240110225656578313.8.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 240110225656578313.8.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 240110225656578313.8.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 240110225656578313 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-80
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-60
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-40
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-20
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=0
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=20
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=40
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=60
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=80
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=100
240110225656578313.eigenfacs
240110225656578313.atom
making animated gifs
11 models are in 240110225656578313.9.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 240110225656578313.9.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 240110225656578313.9.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 240110225656578313 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-80
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-60
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-40
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-20
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=0
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=20
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=40
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=60
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=80
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=100
240110225656578313.eigenfacs
240110225656578313.atom
making animated gifs
11 models are in 240110225656578313.10.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 240110225656578313.10.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 240110225656578313.10.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 240110225656578313 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-80
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-60
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-40
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=-20
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=0
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=20
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=40
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=60
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=80
240110225656578313.eigenfacs
240110225656578313.atom
calculating perturbed structure for DQ=100
240110225656578313.eigenfacs
240110225656578313.atom
making animated gifs
11 models are in 240110225656578313.11.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 240110225656578313.11.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 240110225656578313.11.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
240110225656578313.10.pdb
240110225656578313.11.pdb
240110225656578313.7.pdb
240110225656578313.8.pdb
240110225656578313.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m18.524s
user 0m18.464s
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: 240110225656578313.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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