*** ***
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 = 2404101821253350890.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 2404101821253350890.atom to be opened.
Openam> File opened: 2404101821253350890.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 700
First residue number = 1
Last residue number = 350
Number of atoms found = 5976
Mean number per residue = 8.5
Pdbmat> Coordinate statistics:
= -0.007448 +/- 15.580383 From: -31.781000 To: 31.748000
= -0.031629 +/- 11.067366 From: -28.691000 To: 28.711000
= 23.853715 +/- 20.861707 From: -13.490000 To: 62.690000
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 1.5033 % Filled.
Pdbmat> 2415961 non-zero elements.
Pdbmat> 264517 atom-atom interactions.
Pdbmat> Number per atom= 88.53 +/- 23.30
Maximum number = 138
Minimum number = 14
Pdbmat> Matrix trace = 5.290340E+06
Pdbmat> Larger element = 600.731
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
700 non-zero elements, NRBL set to 4
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2404101821253350890.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 4
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2404101821253350890.atom to be opened.
Openam> file on opening on unit 11:
2404101821253350890.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5976 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 4 residue(s) per block.
Blocpdb> 700 residues.
Blocpdb> 36 atoms in block 1
Block first atom: 1
Blocpdb> 33 atoms in block 2
Block first atom: 37
Blocpdb> 54 atoms in block 3
Block first atom: 70
Blocpdb> 25 atoms in block 4
Block first atom: 124
Blocpdb> 51 atoms in block 5
Block first atom: 149
Blocpdb> 28 atoms in block 6
Block first atom: 200
Blocpdb> 35 atoms in block 7
Block first atom: 228
Blocpdb> 44 atoms in block 8
Block first atom: 263
Blocpdb> 35 atoms in block 9
Block first atom: 307
Blocpdb> 31 atoms in block 10
Block first atom: 342
Blocpdb> 26 atoms in block 11
Block first atom: 373
Blocpdb> 39 atoms in block 12
Block first atom: 399
Blocpdb> 29 atoms in block 13
Block first atom: 438
Blocpdb> 47 atoms in block 14
Block first atom: 467
Blocpdb> 46 atoms in block 15
Block first atom: 514
Blocpdb> 47 atoms in block 16
Block first atom: 560
Blocpdb> 39 atoms in block 17
Block first atom: 607
Blocpdb> 36 atoms in block 18
Block first atom: 646
Blocpdb> 38 atoms in block 19
Block first atom: 682
Blocpdb> 31 atoms in block 20
Block first atom: 720
Blocpdb> 34 atoms in block 21
Block first atom: 751
Blocpdb> 45 atoms in block 22
Block first atom: 785
Blocpdb> 39 atoms in block 23
Block first atom: 830
Blocpdb> 32 atoms in block 24
Block first atom: 869
Blocpdb> 33 atoms in block 25
Block first atom: 901
Blocpdb> 53 atoms in block 26
Block first atom: 934
Blocpdb> 34 atoms in block 27
Block first atom: 987
Blocpdb> 40 atoms in block 28
Block first atom: 1021
Blocpdb> 39 atoms in block 29
Block first atom: 1061
Blocpdb> 36 atoms in block 30
Block first atom: 1100
Blocpdb> 40 atoms in block 31
Block first atom: 1136
Blocpdb> 39 atoms in block 32
Block first atom: 1176
Blocpdb> 34 atoms in block 33
Block first atom: 1215
Blocpdb> 31 atoms in block 34
Block first atom: 1249
Blocpdb> 26 atoms in block 35
Block first atom: 1280
Blocpdb> 35 atoms in block 36
Block first atom: 1306
Blocpdb> 34 atoms in block 37
Block first atom: 1341
Blocpdb> 33 atoms in block 38
Block first atom: 1375
Blocpdb> 39 atoms in block 39
Block first atom: 1408
Blocpdb> 35 atoms in block 40
Block first atom: 1447
Blocpdb> 29 atoms in block 41
Block first atom: 1482
Blocpdb> 33 atoms in block 42
Block first atom: 1511
Blocpdb> 45 atoms in block 43
Block first atom: 1544
Blocpdb> 30 atoms in block 44
Block first atom: 1589
Blocpdb> 37 atoms in block 45
Block first atom: 1619
Blocpdb> 32 atoms in block 46
Block first atom: 1656
Blocpdb> 28 atoms in block 47
Block first atom: 1688
Blocpdb> 28 atoms in block 48
Block first atom: 1716
Blocpdb> 32 atoms in block 49
Block first atom: 1744
Blocpdb> 31 atoms in block 50
Block first atom: 1776
Blocpdb> 35 atoms in block 51
Block first atom: 1807
Blocpdb> 35 atoms in block 52
Block first atom: 1842
Blocpdb> 27 atoms in block 53
Block first atom: 1877
Blocpdb> 31 atoms in block 54
Block first atom: 1904
Blocpdb> 27 atoms in block 55
Block first atom: 1935
Blocpdb> 41 atoms in block 56
Block first atom: 1962
Blocpdb> 39 atoms in block 57
Block first atom: 2003
Blocpdb> 36 atoms in block 58
Block first atom: 2042
Blocpdb> 26 atoms in block 59
Block first atom: 2078
Blocpdb> 33 atoms in block 60
Block first atom: 2104
Blocpdb> 30 atoms in block 61
Block first atom: 2137
Blocpdb> 25 atoms in block 62
Block first atom: 2167
Blocpdb> 35 atoms in block 63
Block first atom: 2192
Blocpdb> 29 atoms in block 64
Block first atom: 2227
Blocpdb> 35 atoms in block 65
Block first atom: 2256
Blocpdb> 52 atoms in block 66
Block first atom: 2291
Blocpdb> 40 atoms in block 67
Block first atom: 2343
Blocpdb> 29 atoms in block 68
Block first atom: 2383
Blocpdb> 30 atoms in block 69
Block first atom: 2412
Blocpdb> 33 atoms in block 70
Block first atom: 2442
Blocpdb> 35 atoms in block 71
Block first atom: 2475
Blocpdb> 28 atoms in block 72
Block first atom: 2510
Blocpdb> 39 atoms in block 73
Block first atom: 2538
Blocpdb> 31 atoms in block 74
Block first atom: 2577
Blocpdb> 26 atoms in block 75
Block first atom: 2608
Blocpdb> 37 atoms in block 76
Block first atom: 2634
Blocpdb> 41 atoms in block 77
Block first atom: 2671
Blocpdb> 20 atoms in block 78
Block first atom: 2712
Blocpdb> 19 atoms in block 79
Block first atom: 2732
Blocpdb> 20 atoms in block 80
Block first atom: 2751
Blocpdb> 34 atoms in block 81
Block first atom: 2771
Blocpdb> 43 atoms in block 82
Block first atom: 2805
Blocpdb> 31 atoms in block 83
Block first atom: 2848
Blocpdb> 19 atoms in block 84
Block first atom: 2879
Blocpdb> 23 atoms in block 85
Block first atom: 2898
Blocpdb> 22 atoms in block 86
Block first atom: 2921
Blocpdb> 34 atoms in block 87
Block first atom: 2943
Blocpdb> 12 atoms in block 88
Block first atom: 2977
Blocpdb> 36 atoms in block 89
Block first atom: 2989
Blocpdb> 33 atoms in block 90
Block first atom: 3025
Blocpdb> 54 atoms in block 91
Block first atom: 3058
Blocpdb> 25 atoms in block 92
Block first atom: 3112
Blocpdb> 51 atoms in block 93
Block first atom: 3137
Blocpdb> 28 atoms in block 94
Block first atom: 3188
Blocpdb> 35 atoms in block 95
Block first atom: 3216
Blocpdb> 44 atoms in block 96
Block first atom: 3251
Blocpdb> 35 atoms in block 97
Block first atom: 3295
Blocpdb> 31 atoms in block 98
Block first atom: 3330
Blocpdb> 26 atoms in block 99
Block first atom: 3361
Blocpdb> 39 atoms in block 100
Block first atom: 3387
Blocpdb> 29 atoms in block 101
Block first atom: 3426
Blocpdb> 47 atoms in block 102
Block first atom: 3455
Blocpdb> 46 atoms in block 103
Block first atom: 3502
Blocpdb> 47 atoms in block 104
Block first atom: 3548
Blocpdb> 39 atoms in block 105
Block first atom: 3595
Blocpdb> 36 atoms in block 106
Block first atom: 3634
Blocpdb> 38 atoms in block 107
Block first atom: 3670
Blocpdb> 31 atoms in block 108
Block first atom: 3708
Blocpdb> 34 atoms in block 109
Block first atom: 3739
Blocpdb> 45 atoms in block 110
Block first atom: 3773
Blocpdb> 39 atoms in block 111
Block first atom: 3818
Blocpdb> 32 atoms in block 112
Block first atom: 3857
Blocpdb> 33 atoms in block 113
Block first atom: 3889
Blocpdb> 53 atoms in block 114
Block first atom: 3922
Blocpdb> 34 atoms in block 115
Block first atom: 3975
Blocpdb> 40 atoms in block 116
Block first atom: 4009
Blocpdb> 39 atoms in block 117
Block first atom: 4049
Blocpdb> 36 atoms in block 118
Block first atom: 4088
Blocpdb> 40 atoms in block 119
Block first atom: 4124
Blocpdb> 39 atoms in block 120
Block first atom: 4164
Blocpdb> 34 atoms in block 121
Block first atom: 4203
Blocpdb> 31 atoms in block 122
Block first atom: 4237
Blocpdb> 26 atoms in block 123
Block first atom: 4268
Blocpdb> 35 atoms in block 124
Block first atom: 4294
Blocpdb> 34 atoms in block 125
Block first atom: 4329
Blocpdb> 33 atoms in block 126
Block first atom: 4363
Blocpdb> 39 atoms in block 127
Block first atom: 4396
Blocpdb> 35 atoms in block 128
Block first atom: 4435
Blocpdb> 29 atoms in block 129
Block first atom: 4470
Blocpdb> 33 atoms in block 130
Block first atom: 4499
Blocpdb> 45 atoms in block 131
Block first atom: 4532
Blocpdb> 30 atoms in block 132
Block first atom: 4577
Blocpdb> 37 atoms in block 133
Block first atom: 4607
Blocpdb> 32 atoms in block 134
Block first atom: 4644
Blocpdb> 28 atoms in block 135
Block first atom: 4676
Blocpdb> 28 atoms in block 136
Block first atom: 4704
Blocpdb> 32 atoms in block 137
Block first atom: 4732
Blocpdb> 31 atoms in block 138
Block first atom: 4764
Blocpdb> 35 atoms in block 139
Block first atom: 4795
Blocpdb> 35 atoms in block 140
Block first atom: 4830
Blocpdb> 27 atoms in block 141
Block first atom: 4865
Blocpdb> 31 atoms in block 142
Block first atom: 4892
Blocpdb> 27 atoms in block 143
Block first atom: 4923
Blocpdb> 41 atoms in block 144
Block first atom: 4950
Blocpdb> 39 atoms in block 145
Block first atom: 4991
Blocpdb> 36 atoms in block 146
Block first atom: 5030
Blocpdb> 26 atoms in block 147
Block first atom: 5066
Blocpdb> 33 atoms in block 148
Block first atom: 5092
Blocpdb> 30 atoms in block 149
Block first atom: 5125
Blocpdb> 25 atoms in block 150
Block first atom: 5155
Blocpdb> 35 atoms in block 151
Block first atom: 5180
Blocpdb> 29 atoms in block 152
Block first atom: 5215
Blocpdb> 35 atoms in block 153
Block first atom: 5244
Blocpdb> 52 atoms in block 154
Block first atom: 5279
Blocpdb> 40 atoms in block 155
Block first atom: 5331
Blocpdb> 29 atoms in block 156
Block first atom: 5371
Blocpdb> 30 atoms in block 157
Block first atom: 5400
Blocpdb> 33 atoms in block 158
Block first atom: 5430
Blocpdb> 35 atoms in block 159
Block first atom: 5463
Blocpdb> 28 atoms in block 160
Block first atom: 5498
Blocpdb> 39 atoms in block 161
Block first atom: 5526
Blocpdb> 31 atoms in block 162
Block first atom: 5565
Blocpdb> 26 atoms in block 163
Block first atom: 5596
Blocpdb> 37 atoms in block 164
Block first atom: 5622
Blocpdb> 41 atoms in block 165
Block first atom: 5659
Blocpdb> 20 atoms in block 166
Block first atom: 5700
Blocpdb> 19 atoms in block 167
Block first atom: 5720
Blocpdb> 20 atoms in block 168
Block first atom: 5739
Blocpdb> 34 atoms in block 169
Block first atom: 5759
Blocpdb> 43 atoms in block 170
Block first atom: 5793
Blocpdb> 31 atoms in block 171
Block first atom: 5836
Blocpdb> 19 atoms in block 172
Block first atom: 5867
Blocpdb> 23 atoms in block 173
Block first atom: 5886
Blocpdb> 22 atoms in block 174
Block first atom: 5909
Blocpdb> 34 atoms in block 175
Block first atom: 5931
Blocpdb> 12 atoms in block 176
Block first atom: 5964
Blocpdb> 176 blocks.
Blocpdb> At most, 54 atoms in each of them.
Blocpdb> At least, 12 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> 2416137 matrix lines read.
Prepmat> Matrix order = 17928
Prepmat> Matrix trace = 5290340.0000
Prepmat> Last element read: 17928 17928 301.9133
Prepmat> 15577 lines saved.
Prepmat> 13954 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: 5976
RTB> Total mass = 5976.0000
RTB> Number of atoms found in matrix: 5976
RTB> Number of blocks = 176
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 223214.3665
RTB> 55752 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: 55752
Diagstd> Projected matrix trace = 223214.3665
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 = 223214.3665
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3770792 0.4009520 0.9151494 1.2219872
2.0255524 2.2916395 2.9669894 3.0845219 3.6739588
4.0842927 5.8094174 6.9180830 7.2207182 7.6078302
9.4504162 9.4691567 11.0751414 11.1967729 11.3603391
11.8433940 11.9265216 13.1462907 13.2692850 13.3987571
14.5048718 14.8431318 15.1574906 15.9288280 16.2694920
16.5697665 18.4924780 18.7081115 19.9776963 20.1564695
20.5969709 21.4739120 21.5718151 21.9664887 22.7448954
23.2458276 23.4646668 23.8011909 24.4170664 25.5799069
25.8621986 26.4348819 27.2133321 27.5044476 27.6483572
28.4956374 28.6877710 29.2847725 30.1382425 30.6571622
31.5610388 31.8532972 32.6961623 32.8781033 33.3928999
34.0336263 34.1700130 34.2567115 34.8822931 35.5785295
35.9937505 36.4069158 36.5320857 37.3625286 37.4962101
38.1244872 38.2958409 39.0507334 39.3712102 39.8427485
40.3806874 40.7521304 40.7892088 41.1014852 41.5559279
41.9401157 42.7062853 42.8152919 43.8955684 44.2479506
45.0140775 45.5769305 45.6838047 46.6199783 46.9316172
47.0207863 47.8889388 48.4053370 48.7996618 49.0229073
49.5246200 49.6257362 49.7257288 49.7769277 50.4541472
50.5312186
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034310 0.0034330 0.0034340 0.0034340 0.0034341
0.0034343 66.6824548 68.7608874 103.8822316 120.0407246
154.5492934 164.3873652 187.0480900 190.7169137 208.1432932
219.4591596 261.7348609 285.6197028 291.8001281 299.5199033
333.8264530 334.1572834 361.3848320 363.3638468 366.0082954
373.7088379 375.0180575 393.7285397 395.5660786 397.4912181
413.5730475 418.3676086 422.7746457 433.3982888 438.0082352
442.0317597 466.9741455 469.6888548 485.3644727 487.5313110
492.8297966 503.2118561 504.3576647 508.9505651 517.8896740
523.5616000 526.0202653 529.7788592 536.5893179 549.2179973
552.2401790 558.3210056 566.4820339 569.5039542 570.9918977
579.6748635 581.6258267 587.6465730 596.1482070 601.2585377
610.0577163 612.8758056 620.9314687 622.6566891 627.5124517
633.5040468 634.7721327 635.5769158 641.3539795 647.7229382
651.4916164 655.2201199 656.3455035 663.7635663 664.9499645
670.4976899 672.0028045 678.5937848 681.3725954 685.4407579
690.0525008 693.2189706 693.5342621 696.1839998 700.0221340
703.2505690 709.6450516 710.5501490 719.4582857 722.3403257
728.5669350 733.1077603 733.9667964 741.4490512 743.9230922
744.6294767 751.4721448 755.5129348 758.5840141 760.3171946
764.1979287 764.9776763 765.7479785 766.1420934 771.3362025
771.9251059
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5976
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: 9.9826E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9947E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.3771
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.4010
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.9151
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.222
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.026
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.292
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.967
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.085
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 3.674
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.084
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 5.809
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 6.918
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 7.221
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 7.608
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 9.450
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 9.469
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 11.08
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 11.20
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 11.36
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 11.84
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 11.93
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 13.15
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 13.27
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 13.40
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 14.50
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 14.84
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 15.16
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 15.93
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 16.27
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 16.57
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 18.49
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 18.71
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 19.98
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 20.16
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 20.60
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 21.47
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 21.57
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 21.97
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 22.74
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 23.25
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 23.46
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 23.80
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 24.42
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 25.58
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 25.86
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 26.43
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 27.21
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 27.50
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 27.65
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 28.50
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 28.69
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 29.28
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 30.14
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 30.66
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 31.56
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 31.85
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 32.70
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 32.88
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 33.39
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 34.03
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 34.17
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 34.26
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 34.88
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 35.58
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 35.99
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 36.41
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 36.53
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 37.36
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 37.50
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 38.12
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 38.30
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 39.05
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 39.37
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 39.84
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 40.38
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 40.75
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 40.79
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 41.10
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 41.56
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 41.94
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 42.71
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 42.82
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 43.90
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 44.25
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 45.01
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 45.58
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 45.68
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 46.62
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 46.93
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 47.02
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 47.89
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 48.41
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 48.80
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 49.02
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 49.52
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 49.63
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 49.73
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 49.78
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 50.45
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 50.53
Rtb_to_modes> 106 vectors, with 1056 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 1.00000 1.00000 1.00001
1.00000 0.99999 1.00000 1.00001 1.00000
1.00000 1.00001 0.99999 1.00002 1.00000
1.00001 0.99999 1.00003 0.99998 1.00000
0.99999 1.00001 1.00000 0.99998 0.99997
1.00002 1.00000 0.99998 1.00004 1.00008
1.00003 1.00002 1.00000 1.00000 1.00000
1.00001 1.00001 1.00001 0.99998 0.99999
0.99999 0.99998 1.00003 0.99998 0.99999
1.00004 0.99998 1.00002 1.00001 0.99998
1.00004 1.00001 1.00000 1.00001 0.99999
1.00001 0.99997 1.00000 0.99999 1.00000
0.99997 1.00002 1.00000 0.99998 1.00001
1.00000 0.99999 1.00001 1.00002 1.00002
1.00003 1.00001 1.00002 0.99999 0.99999
0.99999 0.99999 1.00000 1.00000 1.00001
1.00001 1.00001 0.99998 0.99998 0.99999
1.00000 0.99998 0.99999 1.00001 1.00000
1.00001 1.00001 1.00000 1.00000 1.00001
1.00000 0.99997 0.99997 1.00000 1.00001
0.99999 1.00000 1.00001 0.99997 1.00000
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 107568 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 1.00000 1.00000 1.00001
1.00000 0.99999 1.00000 1.00001 1.00000
1.00000 1.00001 0.99999 1.00002 1.00000
1.00001 0.99999 1.00003 0.99998 1.00000
0.99999 1.00001 1.00000 0.99998 0.99997
1.00002 1.00000 0.99998 1.00004 1.00008
1.00003 1.00002 1.00000 1.00000 1.00000
1.00001 1.00001 1.00001 0.99998 0.99999
0.99999 0.99998 1.00003 0.99998 0.99999
1.00004 0.99998 1.00002 1.00001 0.99998
1.00004 1.00001 1.00000 1.00001 0.99999
1.00001 0.99997 1.00000 0.99999 1.00000
0.99997 1.00002 1.00000 0.99998 1.00001
1.00000 0.99999 1.00001 1.00002 1.00002
1.00003 1.00001 1.00002 0.99999 0.99999
0.99999 0.99999 1.00000 1.00000 1.00001
1.00001 1.00001 0.99998 0.99998 0.99999
1.00000 0.99998 0.99999 1.00001 1.00000
1.00001 1.00001 1.00000 1.00000 1.00001
1.00000 0.99997 0.99997 1.00000 1.00001
0.99999 1.00000 1.00001 0.99997 1.00000
1.00002
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000-0.000
Vector 4:-0.000-0.000-0.000
Vector 5:-0.000 0.000 0.000 0.000
Vector 6: 0.000 0.000 0.000-0.000-0.000
Vector 7: 0.000-0.000-0.000 0.000 0.000 0.000
Vector 8: 0.000 0.000-0.000 0.000 0.000 0.000 0.000
Vector 9:-0.000-0.000-0.000 0.000-0.000-0.000-0.000-0.000
Vector 10: 0.000 0.000-0.000 0.000-0.000-0.000-0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404101821253350890.eigenfacs
Openam> file on opening on unit 10:
2404101821253350890.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404101821253350890.atom
Openam> file on opening on unit 11:
2404101821253350890.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 700
First residue number = 1
Last residue number = 350
Number of atoms found = 5976
Mean number per residue = 8.5
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9826E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9947E-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: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3771
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9151
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.222
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.292
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.967
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.085
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 3.674
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.084
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 5.809
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 6.918
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 7.221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 7.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 9.450
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 9.469
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 11.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 11.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 11.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 11.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 11.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 13.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 13.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 13.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 14.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 14.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 15.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 15.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 16.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 16.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 18.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 18.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 19.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 20.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 20.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 21.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 21.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 21.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 22.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 23.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 23.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 23.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 24.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 25.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 25.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 26.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 27.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 27.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 27.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 28.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 28.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 29.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 30.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 30.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 31.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 31.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 32.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 32.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 33.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 34.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 34.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 34.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 34.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 35.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 35.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 36.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 36.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 37.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 37.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 38.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 38.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 39.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 39.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 39.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 40.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 40.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 40.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 41.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 41.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 41.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 42.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 42.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 43.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 44.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 45.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 45.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 45.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 46.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 46.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 47.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 47.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 48.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 48.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 49.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 49.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 49.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 49.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 49.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 50.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 50.53
Bfactors> 106 vectors, 17928 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.377100
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= 0.509 for 790 C-alpha atoms.
Bfactors> = 0.033 +/- 0.02
Bfactors> = 55.151 +/- 20.61
Bfactors> Shiftng-fct= 55.118
Bfactors> Scaling-fct= 876.149
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404101821253350890 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-80
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-60
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-40
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-20
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=0
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=20
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=40
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=60
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=80
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=100
2404101821253350890.eigenfacs
2404101821253350890.atom
making animated gifs
11 models are in 2404101821253350890.7.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 2404101821253350890.7.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 2404101821253350890.7.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 2404101821253350890 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-80
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-60
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-40
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-20
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=0
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=20
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=40
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=60
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=80
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=100
2404101821253350890.eigenfacs
2404101821253350890.atom
making animated gifs
11 models are in 2404101821253350890.8.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 2404101821253350890.8.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 2404101821253350890.8.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 2404101821253350890 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-80
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-60
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-40
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-20
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=0
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=20
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=40
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=60
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=80
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=100
2404101821253350890.eigenfacs
2404101821253350890.atom
making animated gifs
11 models are in 2404101821253350890.9.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 2404101821253350890.9.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 2404101821253350890.9.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 2404101821253350890 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-80
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-60
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-40
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-20
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=0
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=20
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=40
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=60
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=80
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=100
2404101821253350890.eigenfacs
2404101821253350890.atom
making animated gifs
11 models are in 2404101821253350890.10.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 2404101821253350890.10.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 2404101821253350890.10.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 2404101821253350890 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-80
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-60
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-40
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=-20
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=0
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=20
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=40
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=60
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=80
2404101821253350890.eigenfacs
2404101821253350890.atom
calculating perturbed structure for DQ=100
2404101821253350890.eigenfacs
2404101821253350890.atom
making animated gifs
11 models are in 2404101821253350890.11.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 2404101821253350890.11.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 2404101821253350890.11.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
2404101821253350890.10.pdb
2404101821253350890.11.pdb
2404101821253350890.7.pdb
2404101821253350890.8.pdb
2404101821253350890.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m28.683s
user 0m28.575s
sys 0m0.108s
../../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: 2404101821253350890.Chkmod.res: No such file or directory
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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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