*** ***
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 = 2404061433142583855.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 2404061433142583855.atom to be opened.
Openam> File opened: 2404061433142583855.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 = 504
First residue number = 301
Last residue number = 553
Number of atoms found = 4024
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= 50.015551 +/- 14.747131 From: 20.369000 To: 88.121000
= 37.035465 +/- 13.465093 From: 6.857000 To: 83.110000
= 69.148943 +/- 12.055304 From: 32.071000 To: 96.294000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 2.0320 % Filled.
Pdbmat> 1480777 non-zero elements.
Pdbmat> 161877 atom-atom interactions.
Pdbmat> Number per atom= 80.46 +/- 22.51
Maximum number = 130
Minimum number = 14
Pdbmat> Matrix trace = 3.237540E+06
Pdbmat> Larger element = 508.590
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
504 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 = 2404061433142583855.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 2404061433142583855.atom to be opened.
Openam> file on opening on unit 11:
2404061433142583855.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4024 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> 504 residues.
Blocpdb> 24 atoms in block 1
Block first atom: 1
Blocpdb> 22 atoms in block 2
Block first atom: 25
Blocpdb> 19 atoms in block 3
Block first atom: 47
Blocpdb> 20 atoms in block 4
Block first atom: 66
Blocpdb> 25 atoms in block 5
Block first atom: 86
Blocpdb> 18 atoms in block 6
Block first atom: 111
Blocpdb> 24 atoms in block 7
Block first atom: 129
Blocpdb> 21 atoms in block 8
Block first atom: 153
Blocpdb> 23 atoms in block 9
Block first atom: 174
Blocpdb> 27 atoms in block 10
Block first atom: 197
Blocpdb> 27 atoms in block 11
Block first atom: 224
Blocpdb> 25 atoms in block 12
Block first atom: 251
Blocpdb> 26 atoms in block 13
Block first atom: 276
Blocpdb> 19 atoms in block 14
Block first atom: 302
Blocpdb> 20 atoms in block 15
Block first atom: 321
Blocpdb> 23 atoms in block 16
Block first atom: 341
Blocpdb> 21 atoms in block 17
Block first atom: 364
Blocpdb> 28 atoms in block 18
Block first atom: 385
Blocpdb> 25 atoms in block 19
Block first atom: 413
Blocpdb> 30 atoms in block 20
Block first atom: 438
Blocpdb> 25 atoms in block 21
Block first atom: 468
Blocpdb> 18 atoms in block 22
Block first atom: 493
Blocpdb> 26 atoms in block 23
Block first atom: 511
Blocpdb> 23 atoms in block 24
Block first atom: 537
Blocpdb> 27 atoms in block 25
Block first atom: 560
Blocpdb> 25 atoms in block 26
Block first atom: 587
Blocpdb> 17 atoms in block 27
Block first atom: 612
Blocpdb> 27 atoms in block 28
Block first atom: 629
Blocpdb> 25 atoms in block 29
Block first atom: 656
Blocpdb> 20 atoms in block 30
Block first atom: 681
Blocpdb> 29 atoms in block 31
Block first atom: 701
Blocpdb> 25 atoms in block 32
Block first atom: 730
Blocpdb> 26 atoms in block 33
Block first atom: 755
Blocpdb> 21 atoms in block 34
Block first atom: 781
Blocpdb> 24 atoms in block 35
Block first atom: 802
Blocpdb> 23 atoms in block 36
Block first atom: 826
Blocpdb> 24 atoms in block 37
Block first atom: 849
Blocpdb> 28 atoms in block 38
Block first atom: 873
Blocpdb> 19 atoms in block 39
Block first atom: 901
Blocpdb> 20 atoms in block 40
Block first atom: 920
Blocpdb> 24 atoms in block 41
Block first atom: 940
Blocpdb> 27 atoms in block 42
Block first atom: 964
Blocpdb> 24 atoms in block 43
Block first atom: 991
Blocpdb> 18 atoms in block 44
Block first atom: 1015
Blocpdb> 28 atoms in block 45
Block first atom: 1033
Blocpdb> 27 atoms in block 46
Block first atom: 1061
Blocpdb> 25 atoms in block 47
Block first atom: 1088
Blocpdb> 22 atoms in block 48
Block first atom: 1113
Blocpdb> 24 atoms in block 49
Block first atom: 1135
Blocpdb> 23 atoms in block 50
Block first atom: 1159
Blocpdb> 24 atoms in block 51
Block first atom: 1182
Blocpdb> 22 atoms in block 52
Block first atom: 1206
Blocpdb> 23 atoms in block 53
Block first atom: 1228
Blocpdb> 26 atoms in block 54
Block first atom: 1251
Blocpdb> 19 atoms in block 55
Block first atom: 1277
Blocpdb> 23 atoms in block 56
Block first atom: 1296
Blocpdb> 26 atoms in block 57
Block first atom: 1319
Blocpdb> 27 atoms in block 58
Block first atom: 1345
Blocpdb> 29 atoms in block 59
Block first atom: 1372
Blocpdb> 23 atoms in block 60
Block first atom: 1401
Blocpdb> 24 atoms in block 61
Block first atom: 1424
Blocpdb> 23 atoms in block 62
Block first atom: 1448
Blocpdb> 26 atoms in block 63
Block first atom: 1471
Blocpdb> 22 atoms in block 64
Block first atom: 1497
Blocpdb> 17 atoms in block 65
Block first atom: 1519
Blocpdb> 24 atoms in block 66
Block first atom: 1536
Blocpdb> 28 atoms in block 67
Block first atom: 1560
Blocpdb> 28 atoms in block 68
Block first atom: 1588
Blocpdb> 22 atoms in block 69
Block first atom: 1616
Blocpdb> 24 atoms in block 70
Block first atom: 1638
Blocpdb> 24 atoms in block 71
Block first atom: 1662
Blocpdb> 29 atoms in block 72
Block first atom: 1686
Blocpdb> 22 atoms in block 73
Block first atom: 1715
Blocpdb> 21 atoms in block 74
Block first atom: 1737
Blocpdb> 27 atoms in block 75
Block first atom: 1758
Blocpdb> 26 atoms in block 76
Block first atom: 1785
Blocpdb> 24 atoms in block 77
Block first atom: 1811
Blocpdb> 22 atoms in block 78
Block first atom: 1835
Blocpdb> 27 atoms in block 79
Block first atom: 1857
Blocpdb> 24 atoms in block 80
Block first atom: 1884
Blocpdb> 25 atoms in block 81
Block first atom: 1908
Blocpdb> 21 atoms in block 82
Block first atom: 1933
Blocpdb> 29 atoms in block 83
Block first atom: 1954
Blocpdb> 22 atoms in block 84
Block first atom: 1983
Blocpdb> 8 atoms in block 85
Block first atom: 2005
Blocpdb> 24 atoms in block 86
Block first atom: 2013
Blocpdb> 22 atoms in block 87
Block first atom: 2037
Blocpdb> 19 atoms in block 88
Block first atom: 2059
Blocpdb> 20 atoms in block 89
Block first atom: 2078
Blocpdb> 25 atoms in block 90
Block first atom: 2098
Blocpdb> 18 atoms in block 91
Block first atom: 2123
Blocpdb> 24 atoms in block 92
Block first atom: 2141
Blocpdb> 21 atoms in block 93
Block first atom: 2165
Blocpdb> 23 atoms in block 94
Block first atom: 2186
Blocpdb> 27 atoms in block 95
Block first atom: 2209
Blocpdb> 27 atoms in block 96
Block first atom: 2236
Blocpdb> 25 atoms in block 97
Block first atom: 2263
Blocpdb> 26 atoms in block 98
Block first atom: 2288
Blocpdb> 19 atoms in block 99
Block first atom: 2314
Blocpdb> 20 atoms in block 100
Block first atom: 2333
Blocpdb> 23 atoms in block 101
Block first atom: 2353
Blocpdb> 21 atoms in block 102
Block first atom: 2376
Blocpdb> 28 atoms in block 103
Block first atom: 2397
Blocpdb> 25 atoms in block 104
Block first atom: 2425
Blocpdb> 30 atoms in block 105
Block first atom: 2450
Blocpdb> 25 atoms in block 106
Block first atom: 2480
Blocpdb> 18 atoms in block 107
Block first atom: 2505
Blocpdb> 26 atoms in block 108
Block first atom: 2523
Blocpdb> 23 atoms in block 109
Block first atom: 2549
Blocpdb> 27 atoms in block 110
Block first atom: 2572
Blocpdb> 25 atoms in block 111
Block first atom: 2599
Blocpdb> 17 atoms in block 112
Block first atom: 2624
Blocpdb> 27 atoms in block 113
Block first atom: 2641
Blocpdb> 25 atoms in block 114
Block first atom: 2668
Blocpdb> 20 atoms in block 115
Block first atom: 2693
Blocpdb> 29 atoms in block 116
Block first atom: 2713
Blocpdb> 25 atoms in block 117
Block first atom: 2742
Blocpdb> 26 atoms in block 118
Block first atom: 2767
Blocpdb> 21 atoms in block 119
Block first atom: 2793
Blocpdb> 24 atoms in block 120
Block first atom: 2814
Blocpdb> 23 atoms in block 121
Block first atom: 2838
Blocpdb> 24 atoms in block 122
Block first atom: 2861
Blocpdb> 28 atoms in block 123
Block first atom: 2885
Blocpdb> 19 atoms in block 124
Block first atom: 2913
Blocpdb> 20 atoms in block 125
Block first atom: 2932
Blocpdb> 24 atoms in block 126
Block first atom: 2952
Blocpdb> 27 atoms in block 127
Block first atom: 2976
Blocpdb> 24 atoms in block 128
Block first atom: 3003
Blocpdb> 18 atoms in block 129
Block first atom: 3027
Blocpdb> 28 atoms in block 130
Block first atom: 3045
Blocpdb> 27 atoms in block 131
Block first atom: 3073
Blocpdb> 25 atoms in block 132
Block first atom: 3100
Blocpdb> 22 atoms in block 133
Block first atom: 3125
Blocpdb> 24 atoms in block 134
Block first atom: 3147
Blocpdb> 23 atoms in block 135
Block first atom: 3171
Blocpdb> 24 atoms in block 136
Block first atom: 3194
Blocpdb> 22 atoms in block 137
Block first atom: 3218
Blocpdb> 23 atoms in block 138
Block first atom: 3240
Blocpdb> 26 atoms in block 139
Block first atom: 3263
Blocpdb> 19 atoms in block 140
Block first atom: 3289
Blocpdb> 23 atoms in block 141
Block first atom: 3308
Blocpdb> 26 atoms in block 142
Block first atom: 3331
Blocpdb> 27 atoms in block 143
Block first atom: 3357
Blocpdb> 29 atoms in block 144
Block first atom: 3384
Blocpdb> 23 atoms in block 145
Block first atom: 3413
Blocpdb> 24 atoms in block 146
Block first atom: 3436
Blocpdb> 23 atoms in block 147
Block first atom: 3460
Blocpdb> 26 atoms in block 148
Block first atom: 3483
Blocpdb> 22 atoms in block 149
Block first atom: 3509
Blocpdb> 17 atoms in block 150
Block first atom: 3531
Blocpdb> 24 atoms in block 151
Block first atom: 3548
Blocpdb> 28 atoms in block 152
Block first atom: 3572
Blocpdb> 28 atoms in block 153
Block first atom: 3600
Blocpdb> 22 atoms in block 154
Block first atom: 3628
Blocpdb> 24 atoms in block 155
Block first atom: 3650
Blocpdb> 24 atoms in block 156
Block first atom: 3674
Blocpdb> 29 atoms in block 157
Block first atom: 3698
Blocpdb> 22 atoms in block 158
Block first atom: 3727
Blocpdb> 21 atoms in block 159
Block first atom: 3749
Blocpdb> 27 atoms in block 160
Block first atom: 3770
Blocpdb> 26 atoms in block 161
Block first atom: 3797
Blocpdb> 24 atoms in block 162
Block first atom: 3823
Blocpdb> 22 atoms in block 163
Block first atom: 3847
Blocpdb> 27 atoms in block 164
Block first atom: 3869
Blocpdb> 24 atoms in block 165
Block first atom: 3896
Blocpdb> 25 atoms in block 166
Block first atom: 3920
Blocpdb> 21 atoms in block 167
Block first atom: 3945
Blocpdb> 29 atoms in block 168
Block first atom: 3966
Blocpdb> 22 atoms in block 169
Block first atom: 3995
Blocpdb> 8 atoms in block 170
Block first atom: 4016
Blocpdb> 170 blocks.
Blocpdb> At most, 30 atoms in each of them.
Blocpdb> At least, 8 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> 1480947 matrix lines read.
Prepmat> Matrix order = 12072
Prepmat> Matrix trace = 3237540.0000
Prepmat> Last element read: 12072 12072 53.3685
Prepmat> 14536 lines saved.
Prepmat> 12785 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: 4024
RTB> Total mass = 4024.0000
RTB> Number of atoms found in matrix: 4024
RTB> Number of blocks = 170
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 209809.8178
RTB> 60450 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 = 1020
Diagstd> Nb of non-zero elements: 60450
Diagstd> Projected matrix trace = 209809.8178
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1020 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 209809.8178
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 0.1224834 0.1580767 0.2971714 0.3360814
0.4556233 0.4870709 0.7323365 1.3089501 1.7709676
2.0907431 2.2234048 2.4795227 2.5549052 2.9212765
3.0807217 3.2782239 3.5137450 4.1661654 4.4178862
5.2403950 5.7684794 6.2373045 7.1515941 7.8624910
8.0460145 8.3221440 8.3990088 8.6979883 8.9308387
9.1429657 9.2774782 9.7627404 10.0883440 10.3135802
10.4696143 10.8994112 11.4092670 12.0556381 12.2667979
12.7332906 13.3044245 13.9042005 14.1146251 14.4346945
14.6190513 15.3334614 15.7404805 16.8278994 17.1559528
17.6391050 18.0034697 18.3181988 18.9554098 19.3635026
19.9240674 20.4868177 20.8068659 21.6610059 21.8404003
22.1753740 22.6288143 23.4461045 24.4917980 25.3638976
25.4979760 25.9592585 26.5462914 27.0081460 27.4343367
27.7078413 28.2403611 28.5026672 29.0382547 29.7288816
29.8703768 30.8489463 31.1591219 31.5545691 31.8069734
32.5588331 33.1654034 33.8126739 33.9951898 34.7964888
35.0008644 35.6124198 36.0865520 36.5974221 36.8529422
37.5398293 37.9297178 38.2791945 39.0663432 39.6335937
39.7995466 40.3628566 40.7674843 41.6092887 42.1162855
42.3379367
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034325 0.0034328 0.0034328 0.0034338 0.0034341
0.0034342 38.0043962 43.1746919 59.1968743 62.9531595
73.2990365 75.7864140 92.9288653 124.2386799 144.5108946
157.0166154 161.9215106 170.9933919 173.5732007 185.6015556
190.5993946 196.6140681 203.5543563 221.6478550 228.2456668
248.5863580 260.8110292 271.2025405 290.4000639 304.4916321
308.0248003 313.2657347 314.7090974 320.2614687 324.5199522
328.3513644 330.7579200 339.2978831 344.9095515 348.7385883
351.3667177 358.5063063 366.7956296 377.0425648 380.3302649
387.4945556 396.0894981 404.9191265 407.9716202 412.5713626
415.1976386 425.2216632 430.8283498 445.4615607 449.7826529
456.0721496 460.7585319 464.7684773 472.7830188 477.8452125
484.7125683 491.5101960 495.3345416 505.3992470 507.4877665
511.3647137 516.5664303 525.8121641 537.4098408 546.8941477
548.3377352 553.2754778 559.4962873 564.3423816 568.7776366
571.6057985 577.0725323 579.7463609 585.1679549 592.0856914
593.4930409 603.1362727 606.1608535 609.9951858 612.4299948
619.6260903 625.3712651 631.4442866 633.1462154 640.5646844
642.4430945 648.0313592 652.3309354 656.9321671 659.2215007
665.3366195 668.7827857 671.8567360 678.7293987 683.6392777
685.0690425 689.9001318 693.3495481 700.4714290 704.7260267
706.5780222
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4024
Rtb_to_modes> Number of blocs = 170
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: 9.9913E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9933E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9935E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
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: 0.1225
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1581
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.2972
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.3361
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.4556
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.4871
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.7323
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.309
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 1.771
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.091
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 2.223
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 2.480
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 2.555
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 2.921
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 3.081
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 3.278
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 3.514
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 4.166
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 4.418
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 5.240
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 5.768
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 6.237
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 7.152
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 7.862
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 8.046
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 8.322
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 8.399
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 8.698
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 8.931
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 9.143
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 9.277
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 9.763
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 10.09
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 10.31
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 10.47
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 10.90
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 11.41
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 12.06
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 12.27
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 12.73
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 13.30
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 13.90
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 14.11
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 14.43
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 14.62
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 15.33
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 15.74
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 16.83
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 17.16
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 17.64
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 18.00
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 18.32
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 18.96
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 19.36
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 19.92
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 20.49
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 20.81
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 21.66
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 21.84
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 22.18
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 22.63
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 23.45
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 24.49
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 25.36
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 25.50
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 25.96
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 26.55
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 27.01
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 27.43
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 27.71
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 28.24
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 28.50
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 29.04
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 29.73
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 29.87
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 30.85
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 31.16
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 31.55
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 31.81
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 32.56
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 33.17
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 33.81
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 34.00
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 34.80
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 35.00
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 35.61
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 36.09
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 36.60
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 36.85
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 37.54
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 37.93
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 38.28
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 39.07
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 39.63
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 39.80
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 40.36
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 40.77
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 41.61
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 42.12
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 42.34
Rtb_to_modes> 106 vectors, with 1020 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00001 1.00000 0.99998 1.00000
1.00000 0.99996 0.99994 0.99997 1.00000
1.00005 1.00002 1.00003 1.00001 1.00003
0.99998 1.00001 1.00002 0.99999 0.99996
1.00000 0.99999 0.99995 0.99997 1.00000
1.00001 0.99997 1.00002 1.00000 1.00000
1.00001 1.00000 1.00003 0.99996 1.00002
1.00000 0.99999 1.00001 1.00003 1.00000
1.00000 0.99997 0.99999 1.00001 0.99998
0.99999 0.99997 0.99999 1.00000 0.99999
0.99998 1.00000 0.99999 0.99999 1.00005
0.99999 1.00001 1.00000 0.99999 1.00001
1.00001 1.00000 1.00000 0.99999 1.00001
1.00000 1.00000 1.00000 0.99999 1.00000
1.00001 0.99996 1.00000 0.99999 1.00001
1.00001 1.00000 0.99999 1.00001 0.99998
1.00001 1.00002 0.99999 1.00002 1.00001
0.99999 1.00000 0.99998 0.99999 0.99999
1.00000 0.99998 0.99999 1.00000 1.00003
1.00000 0.99995 1.00001 1.00001 1.00001
0.99999 1.00000 0.99998 1.00002 1.00000
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 72432 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00001 1.00000 0.99998 1.00000
1.00000 0.99996 0.99994 0.99997 1.00000
1.00005 1.00002 1.00003 1.00001 1.00003
0.99998 1.00001 1.00002 0.99999 0.99996
1.00000 0.99999 0.99995 0.99997 1.00000
1.00001 0.99997 1.00002 1.00000 1.00000
1.00001 1.00000 1.00003 0.99996 1.00002
1.00000 0.99999 1.00001 1.00003 1.00000
1.00000 0.99997 0.99999 1.00001 0.99998
0.99999 0.99997 0.99999 1.00000 0.99999
0.99998 1.00000 0.99999 0.99999 1.00005
0.99999 1.00001 1.00000 0.99999 1.00001
1.00001 1.00000 1.00000 0.99999 1.00001
1.00000 1.00000 1.00000 0.99999 1.00000
1.00001 0.99996 1.00000 0.99999 1.00001
1.00001 1.00000 0.99999 1.00001 0.99998
1.00001 1.00002 0.99999 1.00002 1.00001
0.99999 1.00000 0.99998 0.99999 0.99999
1.00000 0.99998 0.99999 1.00000 1.00003
1.00000 0.99995 1.00001 1.00001 1.00001
0.99999 1.00000 0.99998 1.00002 1.00000
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3:-0.000-0.000
Vector 4: 0.000-0.000 0.000
Vector 5: 0.000-0.000-0.000 0.000
Vector 6: 0.000-0.000 0.000 0.000-0.000
Vector 7:-0.000 0.000-0.000-0.000 0.000-0.000
Vector 8:-0.000 0.000 0.000 0.000-0.000 0.000-0.000
Vector 9: 0.000 0.000-0.000 0.000-0.000 0.000 0.000-0.000
Vector 10:-0.000 0.000-0.000-0.000-0.000 0.000-0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404061433142583855.eigenfacs
Openam> file on opening on unit 10:
2404061433142583855.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404061433142583855.atom
Openam> file on opening on unit 11:
2404061433142583855.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 = 504
First residue number = 301
Last residue number = 553
Number of atoms found = 4024
Mean number per residue = 8.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9913E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9933E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9935E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-10
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: 0.1225
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1581
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3361
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4556
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7323
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.309
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.771
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.091
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.223
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.480
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.555
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.921
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.278
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.514
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 4.166
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.418
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 5.240
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 5.768
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 6.237
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 7.152
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 7.862
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 8.046
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 8.322
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 8.399
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 8.698
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 8.931
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 9.143
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 9.277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 9.763
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 10.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 10.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 10.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 10.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 11.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 12.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 12.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 12.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 13.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 13.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 14.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 14.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 14.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 15.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 15.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 16.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 17.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 17.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 18.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 18.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 18.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 19.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 19.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 20.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 20.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 21.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 21.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 22.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 22.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 23.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 24.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 25.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 25.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 25.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 26.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 27.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 27.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 27.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 28.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 28.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 29.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 29.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 29.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 30.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 31.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 31.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 31.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 32.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 33.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 33.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 34.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 34.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 35.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 35.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 36.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 36.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 36.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 37.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 37.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 38.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 39.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 39.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 39.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 40.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 40.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 41.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 42.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 42.34
Bfactors> 106 vectors, 12072 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 : 0.122500
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.127 +/- 0.80
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.127
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404061433142583855 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-80
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-60
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-40
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-20
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=0
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=20
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=40
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=60
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=80
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=100
2404061433142583855.eigenfacs
2404061433142583855.atom
making animated gifs
11 models are in 2404061433142583855.7.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 2404061433142583855.7.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 2404061433142583855.7.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 2404061433142583855 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-80
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-60
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-40
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-20
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=0
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=20
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=40
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=60
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=80
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=100
2404061433142583855.eigenfacs
2404061433142583855.atom
making animated gifs
11 models are in 2404061433142583855.8.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 2404061433142583855.8.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 2404061433142583855.8.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 2404061433142583855 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-80
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-60
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-40
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-20
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=0
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=20
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=40
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=60
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=80
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=100
2404061433142583855.eigenfacs
2404061433142583855.atom
making animated gifs
11 models are in 2404061433142583855.9.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 2404061433142583855.9.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 2404061433142583855.9.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 2404061433142583855 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-80
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-60
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-40
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-20
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=0
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=20
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=40
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=60
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=80
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=100
2404061433142583855.eigenfacs
2404061433142583855.atom
making animated gifs
11 models are in 2404061433142583855.10.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 2404061433142583855.10.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 2404061433142583855.10.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 2404061433142583855 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-80
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-60
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-40
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=-20
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=0
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=20
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=40
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=60
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=80
2404061433142583855.eigenfacs
2404061433142583855.atom
calculating perturbed structure for DQ=100
2404061433142583855.eigenfacs
2404061433142583855.atom
making animated gifs
11 models are in 2404061433142583855.11.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 2404061433142583855.11.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 2404061433142583855.11.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
2404061433142583855.10.pdb
2404061433142583855.11.pdb
2404061433142583855.7.pdb
2404061433142583855.8.pdb
2404061433142583855.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m20.322s
user 0m20.259s
sys 0m0.052s
../../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: 2404061433142583855.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
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
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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