*** hi-loop ***
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 = 2403061820301940865.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 2403061820301940865.atom to be opened.
Openam> File opened: 2403061820301940865.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 = 527
First residue number = 34
Last residue number = 560
Number of atoms found = 4251
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= -29.414856 +/- 10.590815 From: -55.276000 To: 4.190000
= -3.734110 +/- 12.609609 From: -37.476000 To: 28.220000
= -1.409171 +/- 17.538402 From: -44.418000 To: 34.187000
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 1.9866 % Filled.
Pdbmat> 1615612 non-zero elements.
Pdbmat> 176699 atom-atom interactions.
Pdbmat> Number per atom= 83.13 +/- 21.40
Maximum number = 127
Minimum number = 10
Pdbmat> Matrix trace = 3.533980E+06
Pdbmat> Larger element = 481.119
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
527 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 = 2403061820301940865.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 2403061820301940865.atom to be opened.
Openam> file on opening on unit 11:
2403061820301940865.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4251 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> 527 residues.
Blocpdb> 20 atoms in block 1
Block first atom: 1
Blocpdb> 25 atoms in block 2
Block first atom: 21
Blocpdb> 22 atoms in block 3
Block first atom: 46
Blocpdb> 21 atoms in block 4
Block first atom: 68
Blocpdb> 25 atoms in block 5
Block first atom: 89
Blocpdb> 23 atoms in block 6
Block first atom: 114
Blocpdb> 18 atoms in block 7
Block first atom: 137
Blocpdb> 17 atoms in block 8
Block first atom: 155
Blocpdb> 23 atoms in block 9
Block first atom: 172
Blocpdb> 23 atoms in block 10
Block first atom: 195
Blocpdb> 29 atoms in block 11
Block first atom: 218
Blocpdb> 25 atoms in block 12
Block first atom: 247
Blocpdb> 27 atoms in block 13
Block first atom: 272
Blocpdb> 27 atoms in block 14
Block first atom: 299
Blocpdb> 18 atoms in block 15
Block first atom: 326
Blocpdb> 22 atoms in block 16
Block first atom: 344
Blocpdb> 21 atoms in block 17
Block first atom: 366
Blocpdb> 27 atoms in block 18
Block first atom: 387
Blocpdb> 20 atoms in block 19
Block first atom: 414
Blocpdb> 17 atoms in block 20
Block first atom: 434
Blocpdb> 26 atoms in block 21
Block first atom: 451
Blocpdb> 24 atoms in block 22
Block first atom: 477
Blocpdb> 29 atoms in block 23
Block first atom: 501
Blocpdb> 20 atoms in block 24
Block first atom: 530
Blocpdb> 30 atoms in block 25
Block first atom: 550
Blocpdb> 28 atoms in block 26
Block first atom: 580
Blocpdb> 25 atoms in block 27
Block first atom: 608
Blocpdb> 26 atoms in block 28
Block first atom: 633
Blocpdb> 24 atoms in block 29
Block first atom: 659
Blocpdb> 24 atoms in block 30
Block first atom: 683
Blocpdb> 24 atoms in block 31
Block first atom: 707
Blocpdb> 27 atoms in block 32
Block first atom: 731
Blocpdb> 19 atoms in block 33
Block first atom: 758
Blocpdb> 25 atoms in block 34
Block first atom: 777
Blocpdb> 27 atoms in block 35
Block first atom: 802
Blocpdb> 20 atoms in block 36
Block first atom: 829
Blocpdb> 22 atoms in block 37
Block first atom: 849
Blocpdb> 26 atoms in block 38
Block first atom: 871
Blocpdb> 21 atoms in block 39
Block first atom: 897
Blocpdb> 32 atoms in block 40
Block first atom: 918
Blocpdb> 28 atoms in block 41
Block first atom: 950
Blocpdb> 23 atoms in block 42
Block first atom: 978
Blocpdb> 27 atoms in block 43
Block first atom: 1001
Blocpdb> 29 atoms in block 44
Block first atom: 1028
Blocpdb> 31 atoms in block 45
Block first atom: 1057
Blocpdb> 23 atoms in block 46
Block first atom: 1088
Blocpdb> 25 atoms in block 47
Block first atom: 1111
Blocpdb> 26 atoms in block 48
Block first atom: 1136
Blocpdb> 20 atoms in block 49
Block first atom: 1162
Blocpdb> 19 atoms in block 50
Block first atom: 1182
Blocpdb> 28 atoms in block 51
Block first atom: 1201
Blocpdb> 24 atoms in block 52
Block first atom: 1229
Blocpdb> 28 atoms in block 53
Block first atom: 1253
Blocpdb> 20 atoms in block 54
Block first atom: 1281
Blocpdb> 20 atoms in block 55
Block first atom: 1301
Blocpdb> 24 atoms in block 56
Block first atom: 1321
Blocpdb> 19 atoms in block 57
Block first atom: 1345
Blocpdb> 26 atoms in block 58
Block first atom: 1364
Blocpdb> 27 atoms in block 59
Block first atom: 1390
Blocpdb> 24 atoms in block 60
Block first atom: 1417
Blocpdb> 29 atoms in block 61
Block first atom: 1441
Blocpdb> 23 atoms in block 62
Block first atom: 1470
Blocpdb> 21 atoms in block 63
Block first atom: 1493
Blocpdb> 21 atoms in block 64
Block first atom: 1514
Blocpdb> 25 atoms in block 65
Block first atom: 1535
Blocpdb> 24 atoms in block 66
Block first atom: 1560
Blocpdb> 18 atoms in block 67
Block first atom: 1584
Blocpdb> 23 atoms in block 68
Block first atom: 1602
Blocpdb> 25 atoms in block 69
Block first atom: 1625
Blocpdb> 27 atoms in block 70
Block first atom: 1650
Blocpdb> 29 atoms in block 71
Block first atom: 1677
Blocpdb> 30 atoms in block 72
Block first atom: 1706
Blocpdb> 26 atoms in block 73
Block first atom: 1736
Blocpdb> 25 atoms in block 74
Block first atom: 1762
Blocpdb> 35 atoms in block 75
Block first atom: 1787
Blocpdb> 23 atoms in block 76
Block first atom: 1822
Blocpdb> 26 atoms in block 77
Block first atom: 1845
Blocpdb> 26 atoms in block 78
Block first atom: 1871
Blocpdb> 23 atoms in block 79
Block first atom: 1897
Blocpdb> 21 atoms in block 80
Block first atom: 1920
Blocpdb> 21 atoms in block 81
Block first atom: 1941
Blocpdb> 26 atoms in block 82
Block first atom: 1962
Blocpdb> 31 atoms in block 83
Block first atom: 1988
Blocpdb> 25 atoms in block 84
Block first atom: 2019
Blocpdb> 23 atoms in block 85
Block first atom: 2044
Blocpdb> 23 atoms in block 86
Block first atom: 2067
Blocpdb> 23 atoms in block 87
Block first atom: 2090
Blocpdb> 23 atoms in block 88
Block first atom: 2113
Blocpdb> 20 atoms in block 89
Block first atom: 2136
Blocpdb> 25 atoms in block 90
Block first atom: 2156
Blocpdb> 27 atoms in block 91
Block first atom: 2181
Blocpdb> 32 atoms in block 92
Block first atom: 2208
Blocpdb> 22 atoms in block 93
Block first atom: 2240
Blocpdb> 20 atoms in block 94
Block first atom: 2262
Blocpdb> 21 atoms in block 95
Block first atom: 2282
Blocpdb> 25 atoms in block 96
Block first atom: 2303
Blocpdb> 30 atoms in block 97
Block first atom: 2328
Blocpdb> 24 atoms in block 98
Block first atom: 2358
Blocpdb> 27 atoms in block 99
Block first atom: 2382
Blocpdb> 27 atoms in block 100
Block first atom: 2409
Blocpdb> 24 atoms in block 101
Block first atom: 2436
Blocpdb> 19 atoms in block 102
Block first atom: 2460
Blocpdb> 23 atoms in block 103
Block first atom: 2479
Blocpdb> 24 atoms in block 104
Block first atom: 2502
Blocpdb> 27 atoms in block 105
Block first atom: 2526
Blocpdb> 24 atoms in block 106
Block first atom: 2553
Blocpdb> 30 atoms in block 107
Block first atom: 2577
Blocpdb> 19 atoms in block 108
Block first atom: 2607
Blocpdb> 20 atoms in block 109
Block first atom: 2626
Blocpdb> 24 atoms in block 110
Block first atom: 2646
Blocpdb> 23 atoms in block 111
Block first atom: 2670
Blocpdb> 25 atoms in block 112
Block first atom: 2693
Blocpdb> 20 atoms in block 113
Block first atom: 2718
Blocpdb> 22 atoms in block 114
Block first atom: 2738
Blocpdb> 29 atoms in block 115
Block first atom: 2760
Blocpdb> 31 atoms in block 116
Block first atom: 2789
Blocpdb> 26 atoms in block 117
Block first atom: 2820
Blocpdb> 22 atoms in block 118
Block first atom: 2846
Blocpdb> 25 atoms in block 119
Block first atom: 2868
Blocpdb> 22 atoms in block 120
Block first atom: 2893
Blocpdb> 24 atoms in block 121
Block first atom: 2915
Blocpdb> 24 atoms in block 122
Block first atom: 2939
Blocpdb> 29 atoms in block 123
Block first atom: 2963
Blocpdb> 26 atoms in block 124
Block first atom: 2992
Blocpdb> 28 atoms in block 125
Block first atom: 3018
Blocpdb> 20 atoms in block 126
Block first atom: 3046
Blocpdb> 27 atoms in block 127
Block first atom: 3066
Blocpdb> 22 atoms in block 128
Block first atom: 3093
Blocpdb> 25 atoms in block 129
Block first atom: 3115
Blocpdb> 30 atoms in block 130
Block first atom: 3140
Blocpdb> 19 atoms in block 131
Block first atom: 3170
Blocpdb> 20 atoms in block 132
Block first atom: 3189
Blocpdb> 23 atoms in block 133
Block first atom: 3209
Blocpdb> 23 atoms in block 134
Block first atom: 3232
Blocpdb> 25 atoms in block 135
Block first atom: 3255
Blocpdb> 26 atoms in block 136
Block first atom: 3280
Blocpdb> 22 atoms in block 137
Block first atom: 3306
Blocpdb> 28 atoms in block 138
Block first atom: 3328
Blocpdb> 23 atoms in block 139
Block first atom: 3356
Blocpdb> 28 atoms in block 140
Block first atom: 3379
Blocpdb> 22 atoms in block 141
Block first atom: 3407
Blocpdb> 26 atoms in block 142
Block first atom: 3429
Blocpdb> 17 atoms in block 143
Block first atom: 3455
Blocpdb> 23 atoms in block 144
Block first atom: 3472
Blocpdb> 23 atoms in block 145
Block first atom: 3495
Blocpdb> 26 atoms in block 146
Block first atom: 3518
Blocpdb> 22 atoms in block 147
Block first atom: 3544
Blocpdb> 17 atoms in block 148
Block first atom: 3566
Blocpdb> 26 atoms in block 149
Block first atom: 3583
Blocpdb> 23 atoms in block 150
Block first atom: 3609
Blocpdb> 22 atoms in block 151
Block first atom: 3632
Blocpdb> 28 atoms in block 152
Block first atom: 3654
Blocpdb> 29 atoms in block 153
Block first atom: 3682
Blocpdb> 28 atoms in block 154
Block first atom: 3711
Blocpdb> 27 atoms in block 155
Block first atom: 3739
Blocpdb> 20 atoms in block 156
Block first atom: 3766
Blocpdb> 23 atoms in block 157
Block first atom: 3786
Blocpdb> 20 atoms in block 158
Block first atom: 3809
Blocpdb> 25 atoms in block 159
Block first atom: 3829
Blocpdb> 25 atoms in block 160
Block first atom: 3854
Blocpdb> 23 atoms in block 161
Block first atom: 3879
Blocpdb> 24 atoms in block 162
Block first atom: 3902
Blocpdb> 28 atoms in block 163
Block first atom: 3926
Blocpdb> 23 atoms in block 164
Block first atom: 3954
Blocpdb> 23 atoms in block 165
Block first atom: 3977
Blocpdb> 20 atoms in block 166
Block first atom: 4000
Blocpdb> 28 atoms in block 167
Block first atom: 4020
Blocpdb> 20 atoms in block 168
Block first atom: 4048
Blocpdb> 25 atoms in block 169
Block first atom: 4068
Blocpdb> 20 atoms in block 170
Block first atom: 4093
Blocpdb> 24 atoms in block 171
Block first atom: 4113
Blocpdb> 25 atoms in block 172
Block first atom: 4137
Blocpdb> 18 atoms in block 173
Block first atom: 4162
Blocpdb> 25 atoms in block 174
Block first atom: 4180
Blocpdb> 27 atoms in block 175
Block first atom: 4205
Blocpdb> 20 atoms in block 176
Block first atom: 4231
Blocpdb> 176 blocks.
Blocpdb> At most, 35 atoms in each of them.
Blocpdb> At least, 17 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> 1615788 matrix lines read.
Prepmat> Matrix order = 12753
Prepmat> Matrix trace = 3533980.0000
Prepmat> Last element read: 12753 12753 64.3830
Prepmat> 15577 lines saved.
Prepmat> 13770 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: 4251
RTB> Total mass = 4251.0000
RTB> Number of atoms found in matrix: 4251
RTB> Number of blocks = 176
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 230309.0155
RTB> 62376 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 1056
Diagstd> Nb of non-zero elements: 62376
Diagstd> Projected matrix trace = 230309.0155
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1056 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 230309.0155
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 2.2173334 2.2803484 3.3365704 4.4686750
6.4501784 6.5081720 7.0649304 7.2745625 7.7076688
8.6979288 9.8672009 10.4706754 11.1586934 12.0218739
12.2184506 13.4056232 13.7984778 14.1815658 15.0663298
15.6691240 16.2490584 16.6988421 17.6749917 19.5502016
19.8734923 20.0129501 21.0011661 21.7648420 22.5719256
23.1798269 23.4282592 23.9142509 24.7571769 25.5630497
26.5374434 26.9571799 28.1262533 28.7313607 28.9785743
29.6650053 30.3691001 30.8196279 31.1131746 31.8957354
32.6618077 33.3309204 34.1315278 34.5677567 34.8410042
35.3521354 36.1149757 36.6827825 37.1401431 37.5213286
38.0633812 38.4025326 38.7372060 39.7319467 40.5223430
40.6800517 40.9818999 41.7790322 42.4236453 43.0092095
43.9954837 44.4717557 44.7757128 45.4271839 46.6638096
47.1846793 47.7104612 48.0257705 48.4336929 48.9879270
49.3294099 49.7428237 50.9263333 51.0829583 51.4109851
52.2365082 52.4097471 53.5375020 53.6440716 54.3907310
54.5727566 54.8497046 55.6219452 56.1092849 56.4937877
56.9684008 57.3538816 57.8973070 58.6173237 58.9686214
59.4728587 60.3619643 61.2437684 61.7563479 62.0441965
62.4468953
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034323 0.0034324 0.0034340 0.0034350 0.0034350
0.0034353 161.7002829 163.9818893 198.3560379 229.5538958
275.7916687 277.0287173 288.6351529 292.8860722 301.4788167
320.2603721 341.1082828 351.3845230 362.7454325 376.5142044
379.5800246 397.5930505 403.3767570 408.9379099 421.5013935
429.8507002 437.7330917 443.7500956 456.5358524 480.1433302
484.0969827 485.7925350 497.6419525 506.6091620 515.9166990
522.8178117 525.6120223 531.0356421 540.3135264 549.0369995
559.4030378 563.8096547 575.9054946 582.0675351 584.5663176
591.4492634 598.4270854 602.8495982 605.7137651 613.2839371
620.6051695 626.9298285 634.4145648 638.4558613 640.9742934
645.6588471 652.5877896 657.6978402 661.7852247 665.1726505
669.9601366 672.9382484 675.8641748 684.4869971 691.2617949
692.6056475 695.1704839 701.8987483 707.2928564 712.1574309
720.2766382 724.1648117 726.6353706 731.9024278 741.7975183
745.9260668 750.0705046 752.5449587 755.7341930 760.0458835
762.6903307 765.8795930 774.9371553 776.1279086 778.6158551
784.8422057 786.1425667 794.5556717 795.3460840 800.8620751
802.2010498 804.2339951 809.8756972 813.4158810 816.1981895
819.6195224 822.3878550 826.2747132 831.3966559 833.8842432
837.4419025 843.6784623 849.8186017 853.3674685 855.3539446
858.1252987
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4251
Rtb_to_modes> Number of blocs = 176
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9905E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9907E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.217
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.280
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.337
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.469
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 6.450
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 6.508
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 7.065
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 7.275
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 7.708
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 8.698
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 9.867
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 10.47
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 11.16
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 12.02
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 12.22
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 13.41
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 13.80
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 14.18
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 15.07
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 15.67
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 16.25
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 16.70
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 17.67
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 19.55
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 19.87
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 20.01
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 21.00
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 21.76
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 22.57
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 23.18
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 23.43
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 23.91
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 24.76
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 25.56
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 26.54
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 26.96
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 28.13
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 28.73
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 28.98
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 29.67
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 30.37
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 30.82
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 31.11
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 31.90
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 32.66
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 33.33
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 34.13
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 34.57
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 34.84
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 35.35
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 36.11
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 36.68
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 37.14
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 37.52
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 38.06
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 38.40
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 38.74
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 39.73
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 40.52
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 40.68
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 40.98
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 41.78
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 42.42
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 43.01
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 44.00
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 44.47
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 44.78
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 45.43
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 46.66
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 47.18
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 47.71
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 48.03
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 48.43
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 48.99
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 49.33
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 49.74
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 50.93
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 51.08
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 51.41
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 52.24
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 52.41
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 53.54
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 53.64
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 54.39
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 54.57
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 54.85
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 55.62
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 56.11
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 56.49
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 56.97
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 57.35
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 57.90
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 58.62
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 58.97
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 59.47
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 60.36
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 61.24
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 61.76
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 62.04
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 62.45
Rtb_to_modes> 106 vectors, with 1056 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00003 1.00000 1.00001 1.00000 0.99998
1.00000 0.99999 1.00000 1.00002 1.00002
1.00001 0.99999 0.99998 1.00001 0.99998
0.99998 0.99999 1.00001 0.99998 0.99999
1.00002 1.00001 1.00001 1.00000 1.00003
1.00002 0.99996 0.99999 1.00002 0.99998
1.00001 0.99999 0.99999 1.00001 1.00000
1.00001 1.00004 0.99998 0.99999 0.99998
0.99998 1.00003 1.00000 0.99998 1.00003
0.99996 1.00001 0.99997 0.99998 1.00000
0.99998 1.00002 0.99999 1.00000 0.99998
1.00000 0.99998 0.99999 1.00000 0.99999
1.00001 1.00000 1.00000 1.00002 0.99996
0.99998 1.00002 1.00000 1.00001 1.00000
1.00000 1.00002 0.99999 0.99998 1.00002
0.99999 1.00002 1.00000 1.00002 1.00000
1.00001 0.99999 1.00002 1.00001 1.00000
0.99997 1.00001 1.00000 1.00001 1.00000
1.00001 1.00001 1.00000 1.00000 1.00001
1.00000 0.99999 1.00000 1.00000 0.99999
1.00000 0.99998 1.00001 1.00000 1.00002
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 76518 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00003 1.00000 1.00001 1.00000 0.99998
1.00000 0.99999 1.00000 1.00002 1.00002
1.00001 0.99999 0.99998 1.00001 0.99998
0.99998 0.99999 1.00001 0.99998 0.99999
1.00002 1.00001 1.00001 1.00000 1.00003
1.00002 0.99996 0.99999 1.00002 0.99998
1.00001 0.99999 0.99999 1.00001 1.00000
1.00001 1.00004 0.99998 0.99999 0.99998
0.99998 1.00003 1.00000 0.99998 1.00003
0.99996 1.00001 0.99997 0.99998 1.00000
0.99998 1.00002 0.99999 1.00000 0.99998
1.00000 0.99998 0.99999 1.00000 0.99999
1.00001 1.00000 1.00000 1.00002 0.99996
0.99998 1.00002 1.00000 1.00001 1.00000
1.00000 1.00002 0.99999 0.99998 1.00002
0.99999 1.00002 1.00000 1.00002 1.00000
1.00001 0.99999 1.00002 1.00001 1.00000
0.99997 1.00001 1.00000 1.00001 1.00000
1.00001 1.00001 1.00000 1.00000 1.00001
1.00000 0.99999 1.00000 1.00000 0.99999
1.00000 0.99998 1.00001 1.00000 1.00002
0.99998
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000-0.000
Vector 4:-0.000-0.000-0.000
Vector 5:-0.000 0.000 0.000-0.000
Vector 6:-0.000 0.000-0.000-0.000-0.000
Vector 7:-0.000-0.000-0.000 0.000 0.000-0.000
Vector 8:-0.000 0.000 0.000 0.000 0.000-0.000-0.000
Vector 9: 0.000-0.000 0.000 0.000 0.000-0.000 0.000 0.000
Vector 10:-0.000-0.000-0.000-0.000 0.000-0.000 0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2403061820301940865.eigenfacs
Openam> file on opening on unit 10:
2403061820301940865.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403061820301940865.atom
Openam> file on opening on unit 11:
2403061820301940865.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 = 527
First residue number = 34
Last residue number = 560
Number of atoms found = 4251
Mean number per residue = 8.1
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: 9.9907E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-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: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.217
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.280
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.337
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.469
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 6.450
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 6.508
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 7.065
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 7.275
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 7.708
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 8.698
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 9.867
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 10.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 11.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 12.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 12.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 13.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 13.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 14.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 15.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 15.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 16.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 16.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 17.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 19.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 19.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 20.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 21.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 21.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 22.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 23.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 23.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 23.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 24.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 25.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 26.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 26.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 28.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 28.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 28.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 29.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 30.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 30.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 31.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 31.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 32.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 33.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 34.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 34.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 34.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 35.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 36.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 36.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 37.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 37.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 38.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 38.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 38.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 39.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 40.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 40.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 40.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 41.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 42.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 43.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 44.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 44.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 44.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 45.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 46.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 47.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 47.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 48.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 48.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 48.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 49.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 49.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 50.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 51.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 51.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 52.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 52.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 53.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 53.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 54.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 54.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 54.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 55.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 56.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 56.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 56.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 57.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 57.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 58.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 58.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 59.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 60.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 61.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 61.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 62.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 62.45
Bfactors> 106 vectors, 12753 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 : 2.217000
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= 0.288 for 527 C-alpha atoms.
Bfactors> = 0.018 +/- 0.02
Bfactors> = 54.096 +/- 20.17
Bfactors> Shiftng-fct= 54.078
Bfactors> Scaling-fct= 1232.515
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403061820301940865 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-80
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-60
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-40
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-20
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=0
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=20
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=40
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=60
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=80
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=100
2403061820301940865.eigenfacs
2403061820301940865.atom
making animated gifs
11 models are in 2403061820301940865.7.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 2403061820301940865.7.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 2403061820301940865.7.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 2403061820301940865 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-80
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-60
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-40
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-20
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=0
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=20
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=40
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=60
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=80
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=100
2403061820301940865.eigenfacs
2403061820301940865.atom
making animated gifs
11 models are in 2403061820301940865.8.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 2403061820301940865.8.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 2403061820301940865.8.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 2403061820301940865 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-80
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-60
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-40
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-20
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=0
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=20
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=40
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=60
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=80
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=100
2403061820301940865.eigenfacs
2403061820301940865.atom
making animated gifs
11 models are in 2403061820301940865.9.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 2403061820301940865.9.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 2403061820301940865.9.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 2403061820301940865 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-80
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-60
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-40
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-20
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=0
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=20
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=40
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=60
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=80
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=100
2403061820301940865.eigenfacs
2403061820301940865.atom
making animated gifs
11 models are in 2403061820301940865.10.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 2403061820301940865.10.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 2403061820301940865.10.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 2403061820301940865 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-80
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-60
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-40
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=-20
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=0
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=20
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=40
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=60
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=80
2403061820301940865.eigenfacs
2403061820301940865.atom
calculating perturbed structure for DQ=100
2403061820301940865.eigenfacs
2403061820301940865.atom
making animated gifs
11 models are in 2403061820301940865.11.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 2403061820301940865.11.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 2403061820301940865.11.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
2403061820301940865.10.pdb
2403061820301940865.11.pdb
2403061820301940865.7.pdb
2403061820301940865.8.pdb
2403061820301940865.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m22.920s
user 0m22.844s
sys 0m0.076s
../../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: 2403061820301940865.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
pstopnm: Writing ppmraw format
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
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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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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