*** 2xnd_csub ***
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 = 240323191023273725.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 240323191023273725.atom to be opened.
Openam> File opened: 240323191023273725.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 = 576
First residue number = 2
Last residue number = 73
Number of atoms found = 2792
Mean number per residue = 4.8
Pdbmat> Coordinate statistics:
= -48.343127 +/- 14.319029 From: -81.524000 To: -16.231000
= -5.316532 +/- 10.528383 From: -27.789000 To: 19.706000
= 126.452736 +/- 12.989875 From: 94.162000 To: 156.077000
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 2.3640 % Filled.
Pdbmat> 829347 non-zero elements.
Pdbmat> 90305 atom-atom interactions.
Pdbmat> Number per atom= 64.69 +/- 17.69
Maximum number = 100
Minimum number = 22
Pdbmat> Matrix trace = 1.806100E+06
Pdbmat> Larger element = 409.808
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
576 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 = 240323191023273725.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 240323191023273725.atom to be opened.
Openam> file on opening on unit 11:
240323191023273725.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2792 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> 576 residues.
Blocpdb> 15 atoms in block 1
Block first atom: 1
Blocpdb> 15 atoms in block 2
Block first atom: 16
Blocpdb> 14 atoms in block 3
Block first atom: 31
Blocpdb> 14 atoms in block 4
Block first atom: 45
Blocpdb> 15 atoms in block 5
Block first atom: 59
Blocpdb> 14 atoms in block 6
Block first atom: 74
Blocpdb> 13 atoms in block 7
Block first atom: 88
Blocpdb> 14 atoms in block 8
Block first atom: 101
Blocpdb> 14 atoms in block 9
Block first atom: 115
Blocpdb> 14 atoms in block 10
Block first atom: 129
Blocpdb> 15 atoms in block 11
Block first atom: 143
Blocpdb> 14 atoms in block 12
Block first atom: 158
Blocpdb> 15 atoms in block 13
Block first atom: 172
Blocpdb> 15 atoms in block 14
Block first atom: 187
Blocpdb> 15 atoms in block 15
Block first atom: 202
Blocpdb> 15 atoms in block 16
Block first atom: 217
Blocpdb> 15 atoms in block 17
Block first atom: 232
Blocpdb> 14 atoms in block 18
Block first atom: 247
Blocpdb> 15 atoms in block 19
Block first atom: 261
Blocpdb> 14 atoms in block 20
Block first atom: 276
Blocpdb> 15 atoms in block 21
Block first atom: 290
Blocpdb> 15 atoms in block 22
Block first atom: 305
Blocpdb> 15 atoms in block 23
Block first atom: 320
Blocpdb> 15 atoms in block 24
Block first atom: 335
Blocpdb> 15 atoms in block 25
Block first atom: 350
Blocpdb> 15 atoms in block 26
Block first atom: 365
Blocpdb> 14 atoms in block 27
Block first atom: 380
Blocpdb> 14 atoms in block 28
Block first atom: 394
Blocpdb> 15 atoms in block 29
Block first atom: 408
Blocpdb> 14 atoms in block 30
Block first atom: 423
Blocpdb> 13 atoms in block 31
Block first atom: 437
Blocpdb> 14 atoms in block 32
Block first atom: 450
Blocpdb> 14 atoms in block 33
Block first atom: 464
Blocpdb> 14 atoms in block 34
Block first atom: 478
Blocpdb> 15 atoms in block 35
Block first atom: 492
Blocpdb> 14 atoms in block 36
Block first atom: 507
Blocpdb> 15 atoms in block 37
Block first atom: 521
Blocpdb> 15 atoms in block 38
Block first atom: 536
Blocpdb> 15 atoms in block 39
Block first atom: 551
Blocpdb> 15 atoms in block 40
Block first atom: 566
Blocpdb> 15 atoms in block 41
Block first atom: 581
Blocpdb> 14 atoms in block 42
Block first atom: 596
Blocpdb> 15 atoms in block 43
Block first atom: 610
Blocpdb> 14 atoms in block 44
Block first atom: 625
Blocpdb> 15 atoms in block 45
Block first atom: 639
Blocpdb> 15 atoms in block 46
Block first atom: 654
Blocpdb> 15 atoms in block 47
Block first atom: 669
Blocpdb> 15 atoms in block 48
Block first atom: 684
Blocpdb> 15 atoms in block 49
Block first atom: 699
Blocpdb> 15 atoms in block 50
Block first atom: 714
Blocpdb> 14 atoms in block 51
Block first atom: 729
Blocpdb> 14 atoms in block 52
Block first atom: 743
Blocpdb> 15 atoms in block 53
Block first atom: 757
Blocpdb> 14 atoms in block 54
Block first atom: 772
Blocpdb> 13 atoms in block 55
Block first atom: 786
Blocpdb> 14 atoms in block 56
Block first atom: 799
Blocpdb> 14 atoms in block 57
Block first atom: 813
Blocpdb> 14 atoms in block 58
Block first atom: 827
Blocpdb> 15 atoms in block 59
Block first atom: 841
Blocpdb> 14 atoms in block 60
Block first atom: 856
Blocpdb> 15 atoms in block 61
Block first atom: 870
Blocpdb> 15 atoms in block 62
Block first atom: 885
Blocpdb> 15 atoms in block 63
Block first atom: 900
Blocpdb> 15 atoms in block 64
Block first atom: 915
Blocpdb> 15 atoms in block 65
Block first atom: 930
Blocpdb> 14 atoms in block 66
Block first atom: 945
Blocpdb> 15 atoms in block 67
Block first atom: 959
Blocpdb> 14 atoms in block 68
Block first atom: 974
Blocpdb> 15 atoms in block 69
Block first atom: 988
Blocpdb> 15 atoms in block 70
Block first atom: 1003
Blocpdb> 15 atoms in block 71
Block first atom: 1018
Blocpdb> 15 atoms in block 72
Block first atom: 1033
Blocpdb> 15 atoms in block 73
Block first atom: 1048
Blocpdb> 15 atoms in block 74
Block first atom: 1063
Blocpdb> 14 atoms in block 75
Block first atom: 1078
Blocpdb> 14 atoms in block 76
Block first atom: 1092
Blocpdb> 15 atoms in block 77
Block first atom: 1106
Blocpdb> 14 atoms in block 78
Block first atom: 1121
Blocpdb> 13 atoms in block 79
Block first atom: 1135
Blocpdb> 14 atoms in block 80
Block first atom: 1148
Blocpdb> 14 atoms in block 81
Block first atom: 1162
Blocpdb> 14 atoms in block 82
Block first atom: 1176
Blocpdb> 15 atoms in block 83
Block first atom: 1190
Blocpdb> 14 atoms in block 84
Block first atom: 1205
Blocpdb> 15 atoms in block 85
Block first atom: 1219
Blocpdb> 15 atoms in block 86
Block first atom: 1234
Blocpdb> 15 atoms in block 87
Block first atom: 1249
Blocpdb> 15 atoms in block 88
Block first atom: 1264
Blocpdb> 15 atoms in block 89
Block first atom: 1279
Blocpdb> 14 atoms in block 90
Block first atom: 1294
Blocpdb> 15 atoms in block 91
Block first atom: 1308
Blocpdb> 14 atoms in block 92
Block first atom: 1323
Blocpdb> 15 atoms in block 93
Block first atom: 1337
Blocpdb> 15 atoms in block 94
Block first atom: 1352
Blocpdb> 15 atoms in block 95
Block first atom: 1367
Blocpdb> 15 atoms in block 96
Block first atom: 1382
Blocpdb> 15 atoms in block 97
Block first atom: 1397
Blocpdb> 15 atoms in block 98
Block first atom: 1412
Blocpdb> 14 atoms in block 99
Block first atom: 1427
Blocpdb> 14 atoms in block 100
Block first atom: 1441
Blocpdb> 15 atoms in block 101
Block first atom: 1455
Blocpdb> 14 atoms in block 102
Block first atom: 1470
Blocpdb> 13 atoms in block 103
Block first atom: 1484
Blocpdb> 14 atoms in block 104
Block first atom: 1497
Blocpdb> 14 atoms in block 105
Block first atom: 1511
Blocpdb> 14 atoms in block 106
Block first atom: 1525
Blocpdb> 15 atoms in block 107
Block first atom: 1539
Blocpdb> 14 atoms in block 108
Block first atom: 1554
Blocpdb> 15 atoms in block 109
Block first atom: 1568
Blocpdb> 15 atoms in block 110
Block first atom: 1583
Blocpdb> 15 atoms in block 111
Block first atom: 1598
Blocpdb> 15 atoms in block 112
Block first atom: 1613
Blocpdb> 15 atoms in block 113
Block first atom: 1628
Blocpdb> 14 atoms in block 114
Block first atom: 1643
Blocpdb> 15 atoms in block 115
Block first atom: 1657
Blocpdb> 14 atoms in block 116
Block first atom: 1672
Blocpdb> 15 atoms in block 117
Block first atom: 1686
Blocpdb> 15 atoms in block 118
Block first atom: 1701
Blocpdb> 15 atoms in block 119
Block first atom: 1716
Blocpdb> 15 atoms in block 120
Block first atom: 1731
Blocpdb> 15 atoms in block 121
Block first atom: 1746
Blocpdb> 15 atoms in block 122
Block first atom: 1761
Blocpdb> 14 atoms in block 123
Block first atom: 1776
Blocpdb> 14 atoms in block 124
Block first atom: 1790
Blocpdb> 15 atoms in block 125
Block first atom: 1804
Blocpdb> 14 atoms in block 126
Block first atom: 1819
Blocpdb> 13 atoms in block 127
Block first atom: 1833
Blocpdb> 14 atoms in block 128
Block first atom: 1846
Blocpdb> 14 atoms in block 129
Block first atom: 1860
Blocpdb> 14 atoms in block 130
Block first atom: 1874
Blocpdb> 15 atoms in block 131
Block first atom: 1888
Blocpdb> 14 atoms in block 132
Block first atom: 1903
Blocpdb> 15 atoms in block 133
Block first atom: 1917
Blocpdb> 15 atoms in block 134
Block first atom: 1932
Blocpdb> 15 atoms in block 135
Block first atom: 1947
Blocpdb> 15 atoms in block 136
Block first atom: 1962
Blocpdb> 15 atoms in block 137
Block first atom: 1977
Blocpdb> 14 atoms in block 138
Block first atom: 1992
Blocpdb> 15 atoms in block 139
Block first atom: 2006
Blocpdb> 14 atoms in block 140
Block first atom: 2021
Blocpdb> 15 atoms in block 141
Block first atom: 2035
Blocpdb> 15 atoms in block 142
Block first atom: 2050
Blocpdb> 15 atoms in block 143
Block first atom: 2065
Blocpdb> 15 atoms in block 144
Block first atom: 2080
Blocpdb> 15 atoms in block 145
Block first atom: 2095
Blocpdb> 15 atoms in block 146
Block first atom: 2110
Blocpdb> 14 atoms in block 147
Block first atom: 2125
Blocpdb> 14 atoms in block 148
Block first atom: 2139
Blocpdb> 15 atoms in block 149
Block first atom: 2153
Blocpdb> 14 atoms in block 150
Block first atom: 2168
Blocpdb> 13 atoms in block 151
Block first atom: 2182
Blocpdb> 14 atoms in block 152
Block first atom: 2195
Blocpdb> 14 atoms in block 153
Block first atom: 2209
Blocpdb> 14 atoms in block 154
Block first atom: 2223
Blocpdb> 15 atoms in block 155
Block first atom: 2237
Blocpdb> 14 atoms in block 156
Block first atom: 2252
Blocpdb> 15 atoms in block 157
Block first atom: 2266
Blocpdb> 15 atoms in block 158
Block first atom: 2281
Blocpdb> 15 atoms in block 159
Block first atom: 2296
Blocpdb> 15 atoms in block 160
Block first atom: 2311
Blocpdb> 15 atoms in block 161
Block first atom: 2326
Blocpdb> 14 atoms in block 162
Block first atom: 2341
Blocpdb> 15 atoms in block 163
Block first atom: 2355
Blocpdb> 14 atoms in block 164
Block first atom: 2370
Blocpdb> 15 atoms in block 165
Block first atom: 2384
Blocpdb> 15 atoms in block 166
Block first atom: 2399
Blocpdb> 15 atoms in block 167
Block first atom: 2414
Blocpdb> 15 atoms in block 168
Block first atom: 2429
Blocpdb> 15 atoms in block 169
Block first atom: 2444
Blocpdb> 15 atoms in block 170
Block first atom: 2459
Blocpdb> 14 atoms in block 171
Block first atom: 2474
Blocpdb> 14 atoms in block 172
Block first atom: 2488
Blocpdb> 15 atoms in block 173
Block first atom: 2502
Blocpdb> 14 atoms in block 174
Block first atom: 2517
Blocpdb> 13 atoms in block 175
Block first atom: 2531
Blocpdb> 14 atoms in block 176
Block first atom: 2544
Blocpdb> 14 atoms in block 177
Block first atom: 2558
Blocpdb> 14 atoms in block 178
Block first atom: 2572
Blocpdb> 15 atoms in block 179
Block first atom: 2586
Blocpdb> 14 atoms in block 180
Block first atom: 2601
Blocpdb> 15 atoms in block 181
Block first atom: 2615
Blocpdb> 15 atoms in block 182
Block first atom: 2630
Blocpdb> 15 atoms in block 183
Block first atom: 2645
Blocpdb> 15 atoms in block 184
Block first atom: 2660
Blocpdb> 15 atoms in block 185
Block first atom: 2675
Blocpdb> 14 atoms in block 186
Block first atom: 2690
Blocpdb> 15 atoms in block 187
Block first atom: 2704
Blocpdb> 14 atoms in block 188
Block first atom: 2719
Blocpdb> 15 atoms in block 189
Block first atom: 2733
Blocpdb> 15 atoms in block 190
Block first atom: 2748
Blocpdb> 15 atoms in block 191
Block first atom: 2763
Blocpdb> 15 atoms in block 192
Block first atom: 2777
Blocpdb> 192 blocks.
Blocpdb> At most, 15 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> 829539 matrix lines read.
Prepmat> Matrix order = 8376
Prepmat> Matrix trace = 1806100.0000
Prepmat> Last element read: 8376 8376 119.5870
Prepmat> 18529 lines saved.
Prepmat> 16785 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: 2792
RTB> Total mass = 2792.0000
RTB> Number of atoms found in matrix: 2792
RTB> Number of blocks = 192
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 206380.3904
RTB> 59868 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 = 1152
Diagstd> Nb of non-zero elements: 59868
Diagstd> Projected matrix trace = 206380.3904
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1152 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 206380.3904
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 1.2327194 2.2846229 2.3380072 3.1113625
3.2018657 3.3386713 3.4830322 3.9242257 4.5075190
4.5938822 4.7639513 5.2998845 5.3309326 5.5397348
5.7208605 6.1392115 6.3561031 6.4002848 6.5526935
6.8876681 7.0352949 7.8789162 8.0914776 8.2466073
8.7661059 8.8458571 9.0003131 9.1047186 9.3447449
9.6267674 9.9496071 10.1204052 10.8356060 11.2612029
11.4296561 11.7075786 11.8016015 12.0300573 12.4597754
12.7825641 13.1703253 13.3536026 13.5867509 13.8893100
14.5237708 14.8158154 15.0545780 15.1155096 15.4184776
15.6112302 15.7548182 16.1777084 16.5298229 17.0972125
17.7050703 18.1649430 18.6299762 18.6801473 18.9843360
19.2268450 19.8753745 20.0563051 20.4009851 20.5926515
20.8614061 21.1626992 21.5934076 21.7269392 22.1017744
22.2055405 22.5749722 22.7025551 23.0781196 23.2242381
23.6912434 24.0496313 24.5857735 24.9325609 24.9717983
25.2144206 25.8147353 26.2438383 26.6022250 26.9411324
27.3563613 27.7635719 28.0729433 28.4420688 28.9161544
29.8219196 30.3471889 30.5785263 30.9082064 31.4970564
31.9746401 32.1112310 32.5266275 33.2191746 33.5246531
33.6864072
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034333 0.0034341 0.0034345 0.0034346 0.0034348
0.0034360 120.5667075 164.1355088 166.0420951 191.5448979
194.3107550 198.4184786 202.6627924 215.1157792 230.5494357
232.7475972 237.0166956 249.9933651 250.7245589 255.5875930
259.7322977 269.0615116 273.7730830 274.7229435 277.9746606
284.9911576 288.0291440 304.8095149 308.8938053 311.8408014
321.5130729 322.9722722 325.7797532 327.6638616 331.9548400
336.9267705 342.5297089 345.4571857 357.4554175 364.4078065
367.1232275 371.5598860 373.0488912 376.6423307 383.3102095
388.2435678 394.0882912 396.8208698 400.2700426 404.7022473
413.8423900 417.9824612 421.3369755 422.1887693 426.3988532
429.0558664 431.0245210 436.7709873 441.4986502 449.0119866
456.9241447 462.8201938 468.7069902 469.3376866 473.1436183
476.1560342 484.1199063 486.3184479 490.4794875 492.7781192
495.9833173 499.5521242 504.6100219 506.1678472 510.5154047
511.7124164 515.9515157 517.4074166 521.6695535 523.3184155
528.5538101 532.5366375 538.4398793 542.2239848 542.6504773
545.2802610 551.7332006 556.2998679 560.0854123 563.6418133
567.9687561 572.1803638 575.3594551 579.1297447 583.9363993
593.0114483 598.2111648 600.4869253 603.7153001 609.4390305
614.0420499 615.3521997 619.3195625 625.8780180 628.7491727
630.2641832
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2792
Rtb_to_modes> Number of blocs = 192
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: 9.9962E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0012E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.233
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.285
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.338
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.111
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 3.202
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.339
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 3.483
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.924
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 4.508
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.594
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 4.764
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 5.300
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 5.331
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 5.540
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 5.721
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 6.139
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 6.356
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 6.400
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 6.553
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 6.888
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 7.035
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 7.879
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 8.091
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 8.247
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 8.766
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 8.846
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 9.000
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 9.105
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 9.345
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 9.627
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 9.950
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 10.12
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 10.84
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 11.26
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 11.43
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 11.71
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 11.80
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 12.03
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 12.46
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 12.78
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 13.17
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 13.35
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 13.59
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 13.89
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 14.52
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 14.82
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 15.05
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 15.12
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 15.42
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 15.61
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 15.75
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 16.18
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 16.53
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 17.10
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 17.71
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 18.16
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 18.63
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 18.68
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 18.98
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 19.23
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 19.88
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 20.06
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 20.40
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 20.59
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 20.86
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 21.16
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 21.59
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 21.73
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 22.10
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 22.21
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 22.57
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 22.70
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 23.08
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 23.22
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 23.69
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 24.05
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 24.59
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 24.93
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 24.97
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 25.21
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 25.81
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 26.24
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 26.60
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 26.94
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 27.36
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 27.76
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 28.07
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 28.44
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 28.92
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 29.82
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 30.35
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 30.58
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 30.91
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 31.50
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 31.97
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 32.11
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 32.53
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 33.22
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 33.52
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 33.69
Rtb_to_modes> 106 vectors, with 1152 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00001 1.00000 1.00000
1.00000 1.00000 0.99999 1.00002 1.00001
0.99999 1.00000 0.99998 0.99996 1.00001
1.00000 1.00004 1.00000 1.00002 1.00001
1.00003 1.00000 1.00001 1.00000 1.00000
1.00004 1.00000 1.00001 1.00000 1.00002
0.99999 1.00000 1.00001 1.00001 0.99998
1.00000 0.99999 1.00000 1.00003 1.00000
1.00000 1.00002 1.00000 0.99998 1.00001
1.00000 1.00004 1.00000 1.00000 0.99999
0.99998 1.00002 1.00001 0.99996 0.99999
1.00000 1.00002 1.00000 1.00002 0.99999
1.00001 1.00000 0.99999 1.00000 1.00000
1.00001 1.00001 1.00004 1.00001 1.00002
1.00000 1.00000 1.00001 1.00003 0.99999
0.99999 1.00001 0.99999 0.99999 0.99998
0.99999 0.99997 1.00002 0.99999 1.00000
0.99998 1.00002 1.00001 0.99999 0.99999
1.00000 1.00000 1.00001 1.00001 1.00001
1.00001 0.99999 1.00000 1.00001 1.00003
1.00001 0.99999 1.00004 0.99999 1.00001
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 50256 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00001 1.00000 1.00000
1.00000 1.00000 0.99999 1.00002 1.00001
0.99999 1.00000 0.99998 0.99996 1.00001
1.00000 1.00004 1.00000 1.00002 1.00001
1.00003 1.00000 1.00001 1.00000 1.00000
1.00004 1.00000 1.00001 1.00000 1.00002
0.99999 1.00000 1.00001 1.00001 0.99998
1.00000 0.99999 1.00000 1.00003 1.00000
1.00000 1.00002 1.00000 0.99998 1.00001
1.00000 1.00004 1.00000 1.00000 0.99999
0.99998 1.00002 1.00001 0.99996 0.99999
1.00000 1.00002 1.00000 1.00002 0.99999
1.00001 1.00000 0.99999 1.00000 1.00000
1.00001 1.00001 1.00004 1.00001 1.00002
1.00000 1.00000 1.00001 1.00003 0.99999
0.99999 1.00001 0.99999 0.99999 0.99998
0.99999 0.99997 1.00002 0.99999 1.00000
0.99998 1.00002 1.00001 0.99999 0.99999
1.00000 1.00000 1.00001 1.00001 1.00001
1.00001 0.99999 1.00000 1.00001 1.00003
1.00001 0.99999 1.00004 0.99999 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> 240323191023273725.eigenfacs
Openam> file on opening on unit 10:
240323191023273725.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240323191023273725.atom
Openam> file on opening on unit 11:
240323191023273725.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 = 576
First residue number = 2
Last residue number = 73
Number of atoms found = 2792
Mean number per residue = 4.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9962E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0012E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.233
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.285
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.338
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 3.202
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.339
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 3.483
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.924
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 4.508
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.594
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 4.764
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 5.300
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 5.331
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 5.540
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 5.721
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 6.139
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 6.356
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 6.400
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 6.553
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 6.888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 7.035
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 7.879
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 8.091
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 8.247
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 8.766
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 8.846
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 9.000
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 9.105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 9.345
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 9.627
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 9.950
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 10.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 10.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 11.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 11.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 11.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 11.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 12.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 12.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 12.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 13.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 13.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 13.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 13.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 14.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 14.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 15.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 15.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 15.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 15.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 15.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 16.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 16.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 17.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 17.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 18.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 18.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 18.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 18.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 19.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 19.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 20.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 20.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 20.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 20.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 21.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 21.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 21.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 22.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 22.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 22.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 22.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 23.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 23.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 23.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 24.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 24.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 24.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 24.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 25.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 25.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 26.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 26.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 26.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 27.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 27.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 28.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 28.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 28.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 29.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 30.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 30.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 30.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 31.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 31.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 32.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 32.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 33.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 33.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 33.69
Bfactors> 106 vectors, 8376 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 : 1.233000
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= -0.043 for 576 C-alpha atoms.
Bfactors> = 0.054 +/- 0.06
Bfactors> = 129.445 +/- 3.91
Bfactors> Shiftng-fct= 129.390
Bfactors> Scaling-fct= 69.726
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240323191023273725 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-80
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-60
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-40
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-20
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=0
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=20
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=40
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=60
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=80
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=100
240323191023273725.eigenfacs
240323191023273725.atom
making animated gifs
11 models are in 240323191023273725.7.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 240323191023273725.7.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 240323191023273725.7.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 240323191023273725 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-80
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-60
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-40
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-20
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=0
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=20
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=40
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=60
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=80
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=100
240323191023273725.eigenfacs
240323191023273725.atom
making animated gifs
11 models are in 240323191023273725.8.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 240323191023273725.8.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 240323191023273725.8.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 240323191023273725 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-80
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-60
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-40
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-20
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=0
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=20
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=40
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=60
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=80
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=100
240323191023273725.eigenfacs
240323191023273725.atom
making animated gifs
11 models are in 240323191023273725.9.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 240323191023273725.9.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 240323191023273725.9.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 240323191023273725 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-80
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-60
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-40
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-20
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=0
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=20
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=40
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=60
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=80
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=100
240323191023273725.eigenfacs
240323191023273725.atom
making animated gifs
11 models are in 240323191023273725.10.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 240323191023273725.10.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 240323191023273725.10.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 240323191023273725 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-80
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-60
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-40
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=-20
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=0
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=20
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=40
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=60
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=80
240323191023273725.eigenfacs
240323191023273725.atom
calculating perturbed structure for DQ=100
240323191023273725.eigenfacs
240323191023273725.atom
making animated gifs
11 models are in 240323191023273725.11.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 240323191023273725.11.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 240323191023273725.11.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
240323191023273725.10.pdb
240323191023273725.11.pdb
240323191023273725.7.pdb
240323191023273725.8.pdb
240323191023273725.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m24.343s
user 0m24.294s
sys 0m0.048s
../../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: 240323191023273725.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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