*** ***
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 = 240110074832477848.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 240110074832477848.atom to be opened.
Openam> File opened: 240110074832477848.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 = 537
First residue number = 79
Last residue number = 615
Number of atoms found = 4292
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= -0.101642 +/- 13.848206 From: -33.114000 To: 39.272000
= 0.162550 +/- 11.701419 From: -27.256000 To: 27.450000
= 0.917277 +/- 16.600825 From: -32.081000 To: 39.642000
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 1.8390 % Filled.
Pdbmat> 1524588 non-zero elements.
Pdbmat> 166564 atom-atom interactions.
Pdbmat> Number per atom= 77.62 +/- 19.04
Maximum number = 119
Minimum number = 12
Pdbmat> Matrix trace = 3.331280E+06
Pdbmat> Larger element = 477.840
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
537 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 = 240110074832477848.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 240110074832477848.atom to be opened.
Openam> file on opening on unit 11:
240110074832477848.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4292 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> 537 residues.
Blocpdb> 27 atoms in block 1
Block first atom: 1
Blocpdb> 27 atoms in block 2
Block first atom: 28
Blocpdb> 24 atoms in block 3
Block first atom: 55
Blocpdb> 27 atoms in block 4
Block first atom: 79
Blocpdb> 21 atoms in block 5
Block first atom: 106
Blocpdb> 21 atoms in block 6
Block first atom: 127
Blocpdb> 23 atoms in block 7
Block first atom: 148
Blocpdb> 19 atoms in block 8
Block first atom: 171
Blocpdb> 36 atoms in block 9
Block first atom: 190
Blocpdb> 27 atoms in block 10
Block first atom: 226
Blocpdb> 27 atoms in block 11
Block first atom: 253
Blocpdb> 16 atoms in block 12
Block first atom: 280
Blocpdb> 20 atoms in block 13
Block first atom: 296
Blocpdb> 23 atoms in block 14
Block first atom: 316
Blocpdb> 27 atoms in block 15
Block first atom: 339
Blocpdb> 21 atoms in block 16
Block first atom: 366
Blocpdb> 19 atoms in block 17
Block first atom: 387
Blocpdb> 23 atoms in block 18
Block first atom: 406
Blocpdb> 31 atoms in block 19
Block first atom: 429
Blocpdb> 22 atoms in block 20
Block first atom: 460
Blocpdb> 21 atoms in block 21
Block first atom: 482
Blocpdb> 33 atoms in block 22
Block first atom: 503
Blocpdb> 18 atoms in block 23
Block first atom: 536
Blocpdb> 22 atoms in block 24
Block first atom: 554
Blocpdb> 34 atoms in block 25
Block first atom: 576
Blocpdb> 21 atoms in block 26
Block first atom: 610
Blocpdb> 28 atoms in block 27
Block first atom: 631
Blocpdb> 16 atoms in block 28
Block first atom: 659
Blocpdb> 25 atoms in block 29
Block first atom: 675
Blocpdb> 22 atoms in block 30
Block first atom: 700
Blocpdb> 28 atoms in block 31
Block first atom: 722
Blocpdb> 19 atoms in block 32
Block first atom: 750
Blocpdb> 32 atoms in block 33
Block first atom: 769
Blocpdb> 23 atoms in block 34
Block first atom: 801
Blocpdb> 24 atoms in block 35
Block first atom: 824
Blocpdb> 32 atoms in block 36
Block first atom: 848
Blocpdb> 22 atoms in block 37
Block first atom: 880
Blocpdb> 24 atoms in block 38
Block first atom: 902
Blocpdb> 25 atoms in block 39
Block first atom: 926
Blocpdb> 28 atoms in block 40
Block first atom: 951
Blocpdb> 21 atoms in block 41
Block first atom: 979
Blocpdb> 28 atoms in block 42
Block first atom: 1000
Blocpdb> 19 atoms in block 43
Block first atom: 1028
Blocpdb> 21 atoms in block 44
Block first atom: 1047
Blocpdb> 31 atoms in block 45
Block first atom: 1068
Blocpdb> 23 atoms in block 46
Block first atom: 1099
Blocpdb> 23 atoms in block 47
Block first atom: 1122
Blocpdb> 29 atoms in block 48
Block first atom: 1145
Blocpdb> 23 atoms in block 49
Block first atom: 1174
Blocpdb> 18 atoms in block 50
Block first atom: 1197
Blocpdb> 29 atoms in block 51
Block first atom: 1215
Blocpdb> 30 atoms in block 52
Block first atom: 1244
Blocpdb> 25 atoms in block 53
Block first atom: 1274
Blocpdb> 27 atoms in block 54
Block first atom: 1299
Blocpdb> 26 atoms in block 55
Block first atom: 1326
Blocpdb> 21 atoms in block 56
Block first atom: 1352
Blocpdb> 20 atoms in block 57
Block first atom: 1373
Blocpdb> 18 atoms in block 58
Block first atom: 1393
Blocpdb> 31 atoms in block 59
Block first atom: 1411
Blocpdb> 19 atoms in block 60
Block first atom: 1442
Blocpdb> 24 atoms in block 61
Block first atom: 1461
Blocpdb> 26 atoms in block 62
Block first atom: 1485
Blocpdb> 27 atoms in block 63
Block first atom: 1511
Blocpdb> 25 atoms in block 64
Block first atom: 1538
Blocpdb> 27 atoms in block 65
Block first atom: 1563
Blocpdb> 23 atoms in block 66
Block first atom: 1590
Blocpdb> 19 atoms in block 67
Block first atom: 1613
Blocpdb> 28 atoms in block 68
Block first atom: 1632
Blocpdb> 19 atoms in block 69
Block first atom: 1660
Blocpdb> 25 atoms in block 70
Block first atom: 1679
Blocpdb> 28 atoms in block 71
Block first atom: 1704
Blocpdb> 21 atoms in block 72
Block first atom: 1732
Blocpdb> 23 atoms in block 73
Block first atom: 1753
Blocpdb> 20 atoms in block 74
Block first atom: 1776
Blocpdb> 22 atoms in block 75
Block first atom: 1796
Blocpdb> 23 atoms in block 76
Block first atom: 1818
Blocpdb> 22 atoms in block 77
Block first atom: 1841
Blocpdb> 31 atoms in block 78
Block first atom: 1863
Blocpdb> 24 atoms in block 79
Block first atom: 1894
Blocpdb> 31 atoms in block 80
Block first atom: 1918
Blocpdb> 25 atoms in block 81
Block first atom: 1949
Blocpdb> 20 atoms in block 82
Block first atom: 1974
Blocpdb> 29 atoms in block 83
Block first atom: 1994
Blocpdb> 18 atoms in block 84
Block first atom: 2023
Blocpdb> 22 atoms in block 85
Block first atom: 2041
Blocpdb> 28 atoms in block 86
Block first atom: 2063
Blocpdb> 19 atoms in block 87
Block first atom: 2091
Blocpdb> 19 atoms in block 88
Block first atom: 2110
Blocpdb> 23 atoms in block 89
Block first atom: 2129
Blocpdb> 21 atoms in block 90
Block first atom: 2152
Blocpdb> 26 atoms in block 91
Block first atom: 2173
Blocpdb> 28 atoms in block 92
Block first atom: 2199
Blocpdb> 22 atoms in block 93
Block first atom: 2227
Blocpdb> 29 atoms in block 94
Block first atom: 2249
Blocpdb> 20 atoms in block 95
Block first atom: 2278
Blocpdb> 20 atoms in block 96
Block first atom: 2298
Blocpdb> 21 atoms in block 97
Block first atom: 2318
Blocpdb> 21 atoms in block 98
Block first atom: 2339
Blocpdb> 24 atoms in block 99
Block first atom: 2360
Blocpdb> 22 atoms in block 100
Block first atom: 2384
Blocpdb> 26 atoms in block 101
Block first atom: 2406
Blocpdb> 19 atoms in block 102
Block first atom: 2432
Blocpdb> 25 atoms in block 103
Block first atom: 2451
Blocpdb> 28 atoms in block 104
Block first atom: 2476
Blocpdb> 25 atoms in block 105
Block first atom: 2504
Blocpdb> 22 atoms in block 106
Block first atom: 2529
Blocpdb> 21 atoms in block 107
Block first atom: 2551
Blocpdb> 17 atoms in block 108
Block first atom: 2572
Blocpdb> 21 atoms in block 109
Block first atom: 2589
Blocpdb> 27 atoms in block 110
Block first atom: 2610
Blocpdb> 24 atoms in block 111
Block first atom: 2637
Blocpdb> 22 atoms in block 112
Block first atom: 2661
Blocpdb> 21 atoms in block 113
Block first atom: 2683
Blocpdb> 18 atoms in block 114
Block first atom: 2704
Blocpdb> 29 atoms in block 115
Block first atom: 2722
Blocpdb> 21 atoms in block 116
Block first atom: 2751
Blocpdb> 30 atoms in block 117
Block first atom: 2772
Blocpdb> 24 atoms in block 118
Block first atom: 2802
Blocpdb> 19 atoms in block 119
Block first atom: 2826
Blocpdb> 22 atoms in block 120
Block first atom: 2845
Blocpdb> 23 atoms in block 121
Block first atom: 2867
Blocpdb> 21 atoms in block 122
Block first atom: 2890
Blocpdb> 19 atoms in block 123
Block first atom: 2911
Blocpdb> 19 atoms in block 124
Block first atom: 2930
Blocpdb> 25 atoms in block 125
Block first atom: 2949
Blocpdb> 28 atoms in block 126
Block first atom: 2974
Blocpdb> 26 atoms in block 127
Block first atom: 3002
Blocpdb> 31 atoms in block 128
Block first atom: 3028
Blocpdb> 31 atoms in block 129
Block first atom: 3059
Blocpdb> 20 atoms in block 130
Block first atom: 3090
Blocpdb> 22 atoms in block 131
Block first atom: 3110
Blocpdb> 24 atoms in block 132
Block first atom: 3132
Blocpdb> 21 atoms in block 133
Block first atom: 3156
Blocpdb> 22 atoms in block 134
Block first atom: 3177
Blocpdb> 26 atoms in block 135
Block first atom: 3199
Blocpdb> 13 atoms in block 136
Block first atom: 3225
Blocpdb> 26 atoms in block 137
Block first atom: 3238
Blocpdb> 25 atoms in block 138
Block first atom: 3264
Blocpdb> 30 atoms in block 139
Block first atom: 3289
Blocpdb> 16 atoms in block 140
Block first atom: 3319
Blocpdb> 19 atoms in block 141
Block first atom: 3335
Blocpdb> 22 atoms in block 142
Block first atom: 3354
Blocpdb> 21 atoms in block 143
Block first atom: 3376
Blocpdb> 21 atoms in block 144
Block first atom: 3397
Blocpdb> 18 atoms in block 145
Block first atom: 3418
Blocpdb> 37 atoms in block 146
Block first atom: 3436
Blocpdb> 19 atoms in block 147
Block first atom: 3473
Blocpdb> 26 atoms in block 148
Block first atom: 3492
Blocpdb> 26 atoms in block 149
Block first atom: 3518
Blocpdb> 26 atoms in block 150
Block first atom: 3544
Blocpdb> 23 atoms in block 151
Block first atom: 3570
Blocpdb> 17 atoms in block 152
Block first atom: 3593
Blocpdb> 39 atoms in block 153
Block first atom: 3610
Blocpdb> 25 atoms in block 154
Block first atom: 3649
Blocpdb> 26 atoms in block 155
Block first atom: 3674
Blocpdb> 21 atoms in block 156
Block first atom: 3700
Blocpdb> 27 atoms in block 157
Block first atom: 3721
Blocpdb> 27 atoms in block 158
Block first atom: 3748
Blocpdb> 20 atoms in block 159
Block first atom: 3775
Blocpdb> 27 atoms in block 160
Block first atom: 3795
Blocpdb> 20 atoms in block 161
Block first atom: 3822
Blocpdb> 28 atoms in block 162
Block first atom: 3842
Blocpdb> 28 atoms in block 163
Block first atom: 3870
Blocpdb> 32 atoms in block 164
Block first atom: 3898
Blocpdb> 33 atoms in block 165
Block first atom: 3930
Blocpdb> 22 atoms in block 166
Block first atom: 3963
Blocpdb> 24 atoms in block 167
Block first atom: 3985
Blocpdb> 18 atoms in block 168
Block first atom: 4009
Blocpdb> 19 atoms in block 169
Block first atom: 4027
Blocpdb> 25 atoms in block 170
Block first atom: 4046
Blocpdb> 22 atoms in block 171
Block first atom: 4071
Blocpdb> 25 atoms in block 172
Block first atom: 4093
Blocpdb> 31 atoms in block 173
Block first atom: 4118
Blocpdb> 23 atoms in block 174
Block first atom: 4149
Blocpdb> 18 atoms in block 175
Block first atom: 4172
Blocpdb> 29 atoms in block 176
Block first atom: 4190
Blocpdb> 27 atoms in block 177
Block first atom: 4219
Blocpdb> 23 atoms in block 178
Block first atom: 4246
Blocpdb> 24 atoms in block 179
Block first atom: 4268
Blocpdb> 179 blocks.
Blocpdb> At most, 39 atoms in each of them.
Blocpdb> At least, 13 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> 1524767 matrix lines read.
Prepmat> Matrix order = 12876
Prepmat> Matrix trace = 3331280.0000
Prepmat> Last element read: 12876 12876 151.9272
Prepmat> 16111 lines saved.
Prepmat> 14359 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: 4292
RTB> Total mass = 4292.0000
RTB> Number of atoms found in matrix: 4292
RTB> Number of blocks = 179
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 216093.9437
RTB> 60351 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 = 1074
Diagstd> Nb of non-zero elements: 60351
Diagstd> Projected matrix trace = 216093.9437
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1074 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 216093.9437
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.4169427 1.9291734 2.8372821 3.0396530
4.1103144 5.1611371 5.3318132 5.8553231 6.4400519
6.8285037 7.2261876 8.2827424 8.5357697 9.1477625
9.7384273 10.3856411 10.7040575 11.2577343 12.2060691
12.4665804 13.3097364 13.5650004 14.1874484 14.7262090
14.9472859 15.2484631 15.5205860 16.2479122 16.8842676
17.5543803 18.0515800 18.6686560 18.9410938 19.2291034
20.0365601 20.0658465 20.5933376 21.1379030 21.8677705
22.6151482 23.0519587 23.5729043 24.0643020 24.8640084
25.1344199 25.3753363 25.7716062 25.9380577 26.7017583
27.3686054 27.6563873 28.8055957 29.1228432 29.9100264
30.3622931 30.5503736 31.0696043 31.8686241 32.1255006
32.5576331 32.9148979 33.3483551 33.8079032 34.6342653
34.7634291 35.3255812 35.7228496 35.8514307 36.9011410
37.1812436 37.3568910 37.4852758 38.0475673 38.5027592
39.0729974 39.4911562 39.6386794 40.5517444 41.0187088
41.7300829 42.0051091 42.2227463 42.8143516 43.3225026
43.8027174 44.0275915 44.4294648 44.6720972 44.8799545
45.7266198 45.7533275 46.1242728 47.0405143 47.6200657
48.3363940 48.7472131 49.7502052 50.0470601 50.3543457
51.2468655
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034320 0.0034322 0.0034325 0.0034339 0.0034343
0.0034350 129.2621641 150.8276311 182.9138280 189.3247024
220.1571528 246.6993343 250.7452664 262.7669325 275.5750941
283.7644943 291.9106214 312.5232685 317.2609534 328.4374870
338.8751269 349.9547842 355.2789662 364.3516810 379.3876527
383.4148700 396.1685605 399.9495255 409.0227150 416.7165611
419.8328833 424.0414559 427.8084298 437.7176531 446.2070143
454.9755214 461.3737592 469.1933057 472.6044508 476.1839992
486.0790032 486.4341122 492.7863277 499.2593776 507.8056567
516.4104228 521.3737921 527.2320796 532.6990413 541.4780454
544.4145367 547.0174540 551.2721127 553.0495033 561.1322254
568.0958473 571.0748108 582.8190127 586.0196336 593.8868076
598.3600149 600.2104372 605.2895014 613.0232367 615.4889100
619.6146714 623.0050062 627.0937743 631.3997392 639.0697633
640.2603162 645.4163129 649.0353143 650.2023370 659.6524470
662.1512997 663.7134875 664.8530047 669.8209502 673.8158258
678.7872006 682.4097206 683.6831384 691.5125248 695.4826060
701.4874470 703.7952621 705.6161611 710.5423469 714.7465182
718.6969588 720.5394178 723.8204035 725.7941295 727.4807137
734.3106541 734.5250690 737.4966404 744.7856680 749.3596001
754.9747108 758.1762504 765.9364161 768.2181538 770.5729483
777.3720716
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4292
Rtb_to_modes> Number of blocs = 179
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: 9.9887E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9896E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9913E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.417
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.929
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.837
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.040
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 4.110
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 5.161
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 5.332
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 5.855
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 6.440
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 6.829
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 7.226
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 8.283
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 8.536
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 9.148
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 9.738
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 10.39
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 10.70
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 11.26
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 12.21
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 12.47
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 13.31
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 13.57
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 14.19
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 14.73
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 14.95
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 15.25
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 15.52
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 16.25
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 16.88
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 17.55
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 18.05
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 18.67
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 18.94
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 19.23
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 20.04
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 20.07
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 20.59
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 21.14
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 21.87
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 22.62
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 23.05
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 23.57
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 24.06
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 24.86
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 25.13
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 25.38
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 25.77
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 25.94
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 26.70
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 27.37
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 27.66
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 28.81
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 29.12
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 29.91
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 30.36
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 30.55
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 31.07
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 31.87
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 32.13
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 32.56
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 32.91
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 33.35
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 33.81
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 34.63
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 34.76
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 35.33
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 35.72
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 35.85
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 36.90
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 37.18
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 37.36
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 37.49
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 38.05
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 38.50
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 39.07
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 39.49
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 39.64
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 40.55
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 41.02
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 41.73
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 42.01
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 42.22
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 42.81
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 43.32
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 43.80
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 44.03
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 44.43
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 44.67
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 44.88
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 45.73
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 45.75
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 46.12
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 47.04
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 47.62
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 48.34
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 48.75
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 49.75
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 50.05
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 50.35
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 51.25
Rtb_to_modes> 106 vectors, with 1074 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 1.00001 1.00002 1.00001 1.00000
1.00000 1.00000 0.99998 1.00000 1.00000
0.99998 0.99999 1.00000 1.00004 0.99998
1.00002 0.99998 1.00001 0.99999 1.00000
0.99999 1.00000 0.99998 1.00001 0.99999
0.99999 1.00000 1.00001 0.99996 0.99998
1.00002 0.99998 0.99997 1.00000 0.99999
0.99996 1.00001 1.00001 0.99998 0.99997
1.00000 1.00000 0.99998 1.00002 1.00000
1.00000 1.00000 1.00001 1.00000 1.00002
1.00000 1.00000 0.99998 1.00000 1.00001
1.00000 1.00000 1.00001 0.99998 1.00001
1.00000 0.99998 1.00000 1.00001 1.00001
0.99999 0.99999 1.00000 1.00000 1.00001
0.99997 0.99998 1.00000 1.00000 0.99999
0.99999 1.00001 0.99998 1.00001 1.00000
0.99999 1.00001 1.00002 0.99998 1.00001
0.99999 0.99997 1.00000 1.00000 0.99999
1.00001 1.00000 0.99999 1.00000 1.00000
1.00000 1.00000 0.99999 1.00000 1.00000
1.00000 1.00002 1.00000 1.00000 1.00001
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 77256 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 1.00001 1.00002 1.00001 1.00000
1.00000 1.00000 0.99998 1.00000 1.00000
0.99998 0.99999 1.00000 1.00004 0.99998
1.00002 0.99998 1.00001 0.99999 1.00000
0.99999 1.00000 0.99998 1.00001 0.99999
0.99999 1.00000 1.00001 0.99996 0.99998
1.00002 0.99998 0.99997 1.00000 0.99999
0.99996 1.00001 1.00001 0.99998 0.99997
1.00000 1.00000 0.99998 1.00002 1.00000
1.00000 1.00000 1.00001 1.00000 1.00002
1.00000 1.00000 0.99998 1.00000 1.00001
1.00000 1.00000 1.00001 0.99998 1.00001
1.00000 0.99998 1.00000 1.00001 1.00001
0.99999 0.99999 1.00000 1.00000 1.00001
0.99997 0.99998 1.00000 1.00000 0.99999
0.99999 1.00001 0.99998 1.00001 1.00000
0.99999 1.00001 1.00002 0.99998 1.00001
0.99999 0.99997 1.00000 1.00000 0.99999
1.00001 1.00000 0.99999 1.00000 1.00000
1.00000 1.00000 0.99999 1.00000 1.00000
1.00000 1.00002 1.00000 1.00000 1.00001
1.00001
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> 240110074832477848.eigenfacs
Openam> file on opening on unit 10:
240110074832477848.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240110074832477848.atom
Openam> file on opening on unit 11:
240110074832477848.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 = 537
First residue number = 79
Last residue number = 615
Number of atoms found = 4292
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: 9.9887E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9896E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9913E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.417
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.929
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.837
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.040
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 4.110
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 5.161
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 5.332
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 5.855
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 6.440
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 6.829
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 7.226
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 8.283
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 8.536
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 9.148
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 9.738
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 10.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 10.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 11.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 12.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 12.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 13.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 13.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 14.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 14.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 14.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 15.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 15.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 16.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 16.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 17.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 18.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 18.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 18.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 19.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 20.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 20.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 20.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 21.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 21.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 22.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 23.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 23.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 24.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 24.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 25.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 25.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 25.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 25.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 26.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 27.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 27.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 28.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 29.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 29.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 30.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 30.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 31.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 31.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 32.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 32.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 32.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 33.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 33.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 34.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 34.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 35.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 35.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 35.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 36.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 37.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 37.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 37.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 38.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 38.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 39.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 39.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 39.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 40.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 41.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 41.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 42.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 42.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 42.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 43.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 43.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 44.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 44.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 44.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 44.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 45.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 45.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 46.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 47.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 47.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 48.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 48.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 49.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 50.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 50.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 51.25
Bfactors> 106 vectors, 12876 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 1.417000
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= -0.275 for 537 C-alpha atoms.
Bfactors> = 0.022 +/- 0.03
Bfactors> = 229.092 +/- 15.82
Bfactors> Shiftng-fct= 229.070
Bfactors> Scaling-fct= 590.351
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240110074832477848 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-80
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-60
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-40
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-20
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=0
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=20
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=40
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=60
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=80
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=100
240110074832477848.eigenfacs
240110074832477848.atom
making animated gifs
11 models are in 240110074832477848.7.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 240110074832477848.7.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 240110074832477848.7.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 240110074832477848 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-80
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-60
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-40
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-20
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=0
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=20
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=40
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=60
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=80
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=100
240110074832477848.eigenfacs
240110074832477848.atom
making animated gifs
11 models are in 240110074832477848.8.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 240110074832477848.8.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 240110074832477848.8.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 240110074832477848 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-80
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-60
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-40
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-20
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=0
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=20
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=40
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=60
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=80
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=100
240110074832477848.eigenfacs
240110074832477848.atom
making animated gifs
11 models are in 240110074832477848.9.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 240110074832477848.9.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 240110074832477848.9.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 240110074832477848 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-80
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-60
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-40
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-20
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=0
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=20
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=40
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=60
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=80
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=100
240110074832477848.eigenfacs
240110074832477848.atom
making animated gifs
11 models are in 240110074832477848.10.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 240110074832477848.10.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 240110074832477848.10.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 240110074832477848 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-80
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-60
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-40
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=-20
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=0
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=20
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=40
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=60
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=80
240110074832477848.eigenfacs
240110074832477848.atom
calculating perturbed structure for DQ=100
240110074832477848.eigenfacs
240110074832477848.atom
making animated gifs
11 models are in 240110074832477848.11.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 240110074832477848.11.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 240110074832477848.11.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
240110074832477848.10.pdb
240110074832477848.11.pdb
240110074832477848.7.pdb
240110074832477848.8.pdb
240110074832477848.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m23.303s
user 0m23.246s
sys 0m0.056s
../../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: 240110074832477848.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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