*** CME ***
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 = 240126155802505452.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 240126155802505452.atom to be opened.
Openam> File opened: 240126155802505452.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 = 543
First residue number = 1
Last residue number = 543
Number of atoms found = 4063
Mean number per residue = 7.5
Pdbmat> Coordinate statistics:
= 7.474033 +/- 16.853661 From: -28.984000 To: 51.094000
= 0.584654 +/- 12.291748 From: -31.031000 To: 30.891000
= 2.774216 +/- 14.975817 From: -31.000000 To: 48.969000
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 1.8017 % Filled.
Pdbmat> 1338544 non-zero elements.
Pdbmat> 146214 atom-atom interactions.
Pdbmat> Number per atom= 71.97 +/- 28.25
Maximum number = 129
Minimum number = 8
Pdbmat> Matrix trace = 2.924280E+06
Pdbmat> Larger element = 524.830
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
543 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 = 240126155802505452.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 240126155802505452.atom to be opened.
Openam> file on opening on unit 11:
240126155802505452.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4063 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> 543 residues.
Blocpdb> 25 atoms in block 1
Block first atom: 1
Blocpdb> 22 atoms in block 2
Block first atom: 26
Blocpdb> 24 atoms in block 3
Block first atom: 48
Blocpdb> 30 atoms in block 4
Block first atom: 72
Blocpdb> 20 atoms in block 5
Block first atom: 102
Blocpdb> 25 atoms in block 6
Block first atom: 122
Blocpdb> 20 atoms in block 7
Block first atom: 147
Blocpdb> 21 atoms in block 8
Block first atom: 167
Blocpdb> 22 atoms in block 9
Block first atom: 188
Blocpdb> 29 atoms in block 10
Block first atom: 210
Blocpdb> 19 atoms in block 11
Block first atom: 239
Blocpdb> 24 atoms in block 12
Block first atom: 258
Blocpdb> 23 atoms in block 13
Block first atom: 282
Blocpdb> 25 atoms in block 14
Block first atom: 305
Blocpdb> 26 atoms in block 15
Block first atom: 330
Blocpdb> 29 atoms in block 16
Block first atom: 356
Blocpdb> 23 atoms in block 17
Block first atom: 385
Blocpdb> 17 atoms in block 18
Block first atom: 408
Blocpdb> 16 atoms in block 19
Block first atom: 425
Blocpdb> 23 atoms in block 20
Block first atom: 441
Blocpdb> 33 atoms in block 21
Block first atom: 464
Blocpdb> 23 atoms in block 22
Block first atom: 497
Blocpdb> 26 atoms in block 23
Block first atom: 520
Blocpdb> 21 atoms in block 24
Block first atom: 546
Blocpdb> 19 atoms in block 25
Block first atom: 567
Blocpdb> 21 atoms in block 26
Block first atom: 586
Blocpdb> 24 atoms in block 27
Block first atom: 607
Blocpdb> 24 atoms in block 28
Block first atom: 631
Blocpdb> 25 atoms in block 29
Block first atom: 655
Blocpdb> 25 atoms in block 30
Block first atom: 680
Blocpdb> 30 atoms in block 31
Block first atom: 705
Blocpdb> 29 atoms in block 32
Block first atom: 735
Blocpdb> 23 atoms in block 33
Block first atom: 764
Blocpdb> 24 atoms in block 34
Block first atom: 787
Blocpdb> 25 atoms in block 35
Block first atom: 811
Blocpdb> 24 atoms in block 36
Block first atom: 836
Blocpdb> 20 atoms in block 37
Block first atom: 860
Blocpdb> 22 atoms in block 38
Block first atom: 880
Blocpdb> 22 atoms in block 39
Block first atom: 902
Blocpdb> 29 atoms in block 40
Block first atom: 924
Blocpdb> 24 atoms in block 41
Block first atom: 953
Blocpdb> 22 atoms in block 42
Block first atom: 977
Blocpdb> 23 atoms in block 43
Block first atom: 999
Blocpdb> 32 atoms in block 44
Block first atom: 1022
Blocpdb> 20 atoms in block 45
Block first atom: 1054
Blocpdb> 25 atoms in block 46
Block first atom: 1074
Blocpdb> 26 atoms in block 47
Block first atom: 1099
Blocpdb> 18 atoms in block 48
Block first atom: 1125
Blocpdb> 20 atoms in block 49
Block first atom: 1143
Blocpdb> 27 atoms in block 50
Block first atom: 1163
Blocpdb> 25 atoms in block 51
Block first atom: 1190
Blocpdb> 28 atoms in block 52
Block first atom: 1215
Blocpdb> 32 atoms in block 53
Block first atom: 1243
Blocpdb> 23 atoms in block 54
Block first atom: 1275
Blocpdb> 18 atoms in block 55
Block first atom: 1298
Blocpdb> 20 atoms in block 56
Block first atom: 1316
Blocpdb> 25 atoms in block 57
Block first atom: 1336
Blocpdb> 29 atoms in block 58
Block first atom: 1361
Blocpdb> 25 atoms in block 59
Block first atom: 1390
Blocpdb> 25 atoms in block 60
Block first atom: 1415
Blocpdb> 19 atoms in block 61
Block first atom: 1440
Blocpdb> 23 atoms in block 62
Block first atom: 1459
Blocpdb> 14 atoms in block 63
Block first atom: 1482
Blocpdb> 18 atoms in block 64
Block first atom: 1496
Blocpdb> 26 atoms in block 65
Block first atom: 1514
Blocpdb> 23 atoms in block 66
Block first atom: 1540
Blocpdb> 25 atoms in block 67
Block first atom: 1563
Blocpdb> 27 atoms in block 68
Block first atom: 1588
Blocpdb> 21 atoms in block 69
Block first atom: 1615
Blocpdb> 23 atoms in block 70
Block first atom: 1636
Blocpdb> 26 atoms in block 71
Block first atom: 1659
Blocpdb> 19 atoms in block 72
Block first atom: 1685
Blocpdb> 24 atoms in block 73
Block first atom: 1704
Blocpdb> 22 atoms in block 74
Block first atom: 1728
Blocpdb> 20 atoms in block 75
Block first atom: 1750
Blocpdb> 23 atoms in block 76
Block first atom: 1770
Blocpdb> 25 atoms in block 77
Block first atom: 1793
Blocpdb> 25 atoms in block 78
Block first atom: 1818
Blocpdb> 24 atoms in block 79
Block first atom: 1843
Blocpdb> 22 atoms in block 80
Block first atom: 1867
Blocpdb> 27 atoms in block 81
Block first atom: 1889
Blocpdb> 18 atoms in block 82
Block first atom: 1916
Blocpdb> 22 atoms in block 83
Block first atom: 1934
Blocpdb> 27 atoms in block 84
Block first atom: 1956
Blocpdb> 20 atoms in block 85
Block first atom: 1983
Blocpdb> 22 atoms in block 86
Block first atom: 2003
Blocpdb> 22 atoms in block 87
Block first atom: 2025
Blocpdb> 21 atoms in block 88
Block first atom: 2047
Blocpdb> 17 atoms in block 89
Block first atom: 2068
Blocpdb> 18 atoms in block 90
Block first atom: 2085
Blocpdb> 21 atoms in block 91
Block first atom: 2103
Blocpdb> 26 atoms in block 92
Block first atom: 2124
Blocpdb> 23 atoms in block 93
Block first atom: 2150
Blocpdb> 28 atoms in block 94
Block first atom: 2173
Blocpdb> 28 atoms in block 95
Block first atom: 2201
Blocpdb> 23 atoms in block 96
Block first atom: 2229
Blocpdb> 21 atoms in block 97
Block first atom: 2252
Blocpdb> 21 atoms in block 98
Block first atom: 2273
Blocpdb> 25 atoms in block 99
Block first atom: 2294
Blocpdb> 24 atoms in block 100
Block first atom: 2319
Blocpdb> 16 atoms in block 101
Block first atom: 2343
Blocpdb> 22 atoms in block 102
Block first atom: 2359
Blocpdb> 27 atoms in block 103
Block first atom: 2381
Blocpdb> 26 atoms in block 104
Block first atom: 2408
Blocpdb> 24 atoms in block 105
Block first atom: 2434
Blocpdb> 26 atoms in block 106
Block first atom: 2458
Blocpdb> 17 atoms in block 107
Block first atom: 2484
Blocpdb> 25 atoms in block 108
Block first atom: 2501
Blocpdb> 23 atoms in block 109
Block first atom: 2526
Blocpdb> 21 atoms in block 110
Block first atom: 2549
Blocpdb> 23 atoms in block 111
Block first atom: 2570
Blocpdb> 24 atoms in block 112
Block first atom: 2593
Blocpdb> 19 atoms in block 113
Block first atom: 2617
Blocpdb> 37 atoms in block 114
Block first atom: 2636
Blocpdb> 23 atoms in block 115
Block first atom: 2673
Blocpdb> 19 atoms in block 116
Block first atom: 2696
Blocpdb> 21 atoms in block 117
Block first atom: 2715
Blocpdb> 15 atoms in block 118
Block first atom: 2736
Blocpdb> 27 atoms in block 119
Block first atom: 2751
Blocpdb> 24 atoms in block 120
Block first atom: 2778
Blocpdb> 22 atoms in block 121
Block first atom: 2802
Blocpdb> 22 atoms in block 122
Block first atom: 2824
Blocpdb> 21 atoms in block 123
Block first atom: 2846
Blocpdb> 20 atoms in block 124
Block first atom: 2867
Blocpdb> 24 atoms in block 125
Block first atom: 2887
Blocpdb> 24 atoms in block 126
Block first atom: 2911
Blocpdb> 24 atoms in block 127
Block first atom: 2935
Blocpdb> 20 atoms in block 128
Block first atom: 2959
Blocpdb> 24 atoms in block 129
Block first atom: 2979
Blocpdb> 18 atoms in block 130
Block first atom: 3003
Blocpdb> 15 atoms in block 131
Block first atom: 3021
Blocpdb> 23 atoms in block 132
Block first atom: 3036
Blocpdb> 22 atoms in block 133
Block first atom: 3059
Blocpdb> 22 atoms in block 134
Block first atom: 3081
Blocpdb> 23 atoms in block 135
Block first atom: 3103
Blocpdb> 20 atoms in block 136
Block first atom: 3126
Blocpdb> 12 atoms in block 137
Block first atom: 3146
Blocpdb> 15 atoms in block 138
Block first atom: 3158
Blocpdb> 22 atoms in block 139
Block first atom: 3173
Blocpdb> 20 atoms in block 140
Block first atom: 3195
Blocpdb> 20 atoms in block 141
Block first atom: 3215
Blocpdb> 23 atoms in block 142
Block first atom: 3235
Blocpdb> 23 atoms in block 143
Block first atom: 3258
Blocpdb> 25 atoms in block 144
Block first atom: 3281
Blocpdb> 17 atoms in block 145
Block first atom: 3306
Blocpdb> 12 atoms in block 146
Block first atom: 3323
Blocpdb> 27 atoms in block 147
Block first atom: 3335
Blocpdb> 21 atoms in block 148
Block first atom: 3362
Blocpdb> 22 atoms in block 149
Block first atom: 3383
Blocpdb> 20 atoms in block 150
Block first atom: 3405
Blocpdb> 20 atoms in block 151
Block first atom: 3425
Blocpdb> 12 atoms in block 152
Block first atom: 3445
Blocpdb> 21 atoms in block 153
Block first atom: 3457
Blocpdb> 21 atoms in block 154
Block first atom: 3478
Blocpdb> 21 atoms in block 155
Block first atom: 3499
Blocpdb> 24 atoms in block 156
Block first atom: 3520
Blocpdb> 22 atoms in block 157
Block first atom: 3544
Blocpdb> 32 atoms in block 158
Block first atom: 3566
Blocpdb> 15 atoms in block 159
Block first atom: 3598
Blocpdb> 12 atoms in block 160
Block first atom: 3613
Blocpdb> 18 atoms in block 161
Block first atom: 3625
Blocpdb> 20 atoms in block 162
Block first atom: 3643
Blocpdb> 19 atoms in block 163
Block first atom: 3663
Blocpdb> 19 atoms in block 164
Block first atom: 3682
Blocpdb> 25 atoms in block 165
Block first atom: 3701
Blocpdb> 12 atoms in block 166
Block first atom: 3726
Blocpdb> 15 atoms in block 167
Block first atom: 3738
Blocpdb> 33 atoms in block 168
Block first atom: 3753
Blocpdb> 21 atoms in block 169
Block first atom: 3786
Blocpdb> 28 atoms in block 170
Block first atom: 3807
Blocpdb> 22 atoms in block 171
Block first atom: 3835
Blocpdb> 16 atoms in block 172
Block first atom: 3857
Blocpdb> 15 atoms in block 173
Block first atom: 3873
Blocpdb> 12 atoms in block 174
Block first atom: 3888
Blocpdb> 22 atoms in block 175
Block first atom: 3900
Blocpdb> 19 atoms in block 176
Block first atom: 3922
Blocpdb> 20 atoms in block 177
Block first atom: 3941
Blocpdb> 18 atoms in block 178
Block first atom: 3961
Blocpdb> 25 atoms in block 179
Block first atom: 3979
Blocpdb> 30 atoms in block 180
Block first atom: 4004
Blocpdb> 30 atoms in block 181
Block first atom: 4033
Blocpdb> 181 blocks.
Blocpdb> At most, 37 atoms in each of them.
Blocpdb> At least, 12 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 1338725 matrix lines read.
Prepmat> Matrix order = 12189
Prepmat> Matrix trace = 2924280.0000
Prepmat> Last element read: 12189 12189 125.7206
Prepmat> 16472 lines saved.
Prepmat> 14907 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: 4063
RTB> Total mass = 4063.0000
RTB> Number of atoms found in matrix: 4063
RTB> Number of blocks = 181
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 192991.0835
RTB> 53589 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 = 1086
Diagstd> Nb of non-zero elements: 53589
Diagstd> Projected matrix trace = 192991.0835
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1086 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 192991.0835
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0339660 0.0642219 0.0681880 0.0909240
0.1183374 0.1463371 0.1602081 0.1985877 0.2482262
0.4036677 0.4503700 0.4961683 0.5346324 0.6172944
0.7353215 0.7924748 0.9495981 1.0521325 1.0756703
1.1915697 1.3498200 1.3867478 1.4297262 1.5387819
1.5744839 1.6577603 1.7319840 1.9736853 2.1526482
2.3204964 2.4206788 2.5306242 2.8022485 2.8543977
2.8874917 3.0142976 3.1244348 3.1680555 3.3138387
3.4108847 3.5239650 3.5836564 3.6271737 3.8311505
4.1309570 4.2607772 4.5498023 4.7463017 4.9657124
5.1112237 5.2215998 5.3379659 5.5198111 5.9977003
6.0697452 6.1581079 6.3625438 6.6266882 6.9995699
7.2058343 7.3850372 7.6384489 7.8085289 8.0749085
8.3492121 8.3923275 8.7734424 8.8685724 9.0397181
9.3413321 9.4056466 9.4971380 9.9836966 10.1105442
10.3429399 10.4464876 10.6851693 11.0822728 11.2523458
11.2923805 11.5223450 11.6032634 12.0515861 12.3671480
12.4287507 12.5976620 13.0441636 13.2883465 13.4442533
14.0520882 14.2461312 14.3970746 14.4629720 14.6810869
15.0567481 15.3281544 15.7212000 16.0651201 16.3109886
16.5078670
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034330 0.0034333 0.0034333 0.0034337 0.0034343
0.0034354 20.0132328 27.5192738 28.3562792 32.7442083
37.3556574 41.5405690 43.4647792 48.3917696 54.1027149
68.9933557 72.8752407 76.4909027 79.4004436 85.3181504
93.1180590 96.6691773 105.8193741 111.3859727 112.6250182
118.5372923 126.1633498 127.8774644 129.8439486 134.7050289
136.2587474 139.8157667 142.9115140 152.5577373 159.3242218
165.4191291 168.9522045 172.7464412 181.7810492 183.4647033
184.5251849 188.5334208 191.9468606 193.2821169 197.6791952
200.5528334 203.8501670 205.5693955 206.8137721 212.5494009
220.7092917 224.1504904 231.6282582 236.5772334 241.9836710
245.5035211 248.1401677 250.8898987 255.1275663 265.9424479
267.5349401 269.4752776 273.9117569 279.5397352 287.2969123
291.4992335 295.1016406 300.1220264 303.4449344 308.5773790
313.7747759 314.5838997 321.6475851 323.3866883 326.4921353
331.8942182 333.0347936 334.6506362 343.1159984 345.2888441
349.2346139 350.9784299 354.9653692 361.5011630 364.2644724
364.9119055 368.6088160 369.9008727 376.9791964 381.8827658
382.8326938 385.4253336 392.1962152 395.8500939 398.1654969
407.0668293 409.8677522 412.0333866 412.9752773 416.0776473
421.3673426 425.1480721 430.5644080 435.2484855 438.5664667
441.2053413
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4063
Rtb_to_modes> Number of blocs = 181
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: 9.9943E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9962E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9964E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9986E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.3966E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 6.4222E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.8188E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 9.0924E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.1183
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1463
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.1602
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.1986
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.2482
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.4037
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.4504
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.4962
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.5346
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.6173
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.7353
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.7925
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.9496
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.052
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.076
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.192
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.350
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.387
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.430
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.539
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.574
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 1.658
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 1.732
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 1.974
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 2.153
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 2.320
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 2.421
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 2.531
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 2.802
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 2.854
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 2.887
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 3.014
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 3.124
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 3.168
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 3.314
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 3.411
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 3.524
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 3.584
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 3.627
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 3.831
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 4.131
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 4.261
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 4.550
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 4.746
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 4.966
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 5.111
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 5.222
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 5.338
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 5.520
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 5.998
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 6.070
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 6.158
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 6.363
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 6.627
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 7.000
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 7.206
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 7.385
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 7.638
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 7.809
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 8.075
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 8.349
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 8.392
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 8.773
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 8.869
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 9.040
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 9.341
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 9.406
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 9.497
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 9.984
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 10.11
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 10.34
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 10.45
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 10.69
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 11.08
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 11.25
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 11.29
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 11.52
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 11.60
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 12.05
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 12.37
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 12.43
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 12.60
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 13.04
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 13.29
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 13.44
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 14.05
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 14.25
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 14.40
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 14.46
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 14.68
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 15.06
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 15.33
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 15.72
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 16.07
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 16.31
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 16.51
Rtb_to_modes> 106 vectors, with 1086 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 0.99999 1.00000 1.00000
0.99999 1.00004 1.00002 1.00000 0.99997
0.99999 1.00000 1.00000 1.00003 0.99998
1.00004 1.00006 0.99999 0.99998 0.99999
1.00000 1.00000 1.00004 1.00004 0.99998
1.00000 1.00003 0.99997 0.99998 1.00000
0.99999 0.99997 1.00002 1.00001 1.00001
1.00002 0.99996 0.99997 1.00000 1.00000
1.00003 1.00000 0.99998 1.00001 0.99999
0.99999 1.00003 1.00003 1.00001 0.99997
0.99997 0.99999 1.00003 1.00003 1.00001
1.00000 0.99998 0.99999 1.00000 1.00001
0.99999 0.99999 0.99999 0.99996 0.99999
1.00000 0.99997 1.00000 0.99993 1.00000
0.99998 0.99999 1.00000 1.00002 1.00003
1.00001 1.00002 0.99996 0.99997 0.99998
0.99999 0.99997 1.00005 1.00000 1.00000
0.99996 0.99997 1.00000 1.00000 0.99998
1.00002 1.00000 0.99999 1.00004 1.00002
0.99998 1.00000 1.00003 1.00000 1.00000
1.00002 1.00000 1.00000 0.99997 0.99998
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 73134 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 0.99999 1.00000 1.00000
0.99999 1.00004 1.00002 1.00000 0.99997
0.99999 1.00000 1.00000 1.00003 0.99998
1.00004 1.00006 0.99999 0.99998 0.99999
1.00000 1.00000 1.00004 1.00004 0.99998
1.00000 1.00003 0.99997 0.99998 1.00000
0.99999 0.99997 1.00002 1.00001 1.00001
1.00002 0.99996 0.99997 1.00000 1.00000
1.00003 1.00000 0.99998 1.00001 0.99999
0.99999 1.00003 1.00003 1.00001 0.99997
0.99997 0.99999 1.00003 1.00003 1.00001
1.00000 0.99998 0.99999 1.00000 1.00001
0.99999 0.99999 0.99999 0.99996 0.99999
1.00000 0.99997 1.00000 0.99993 1.00000
0.99998 0.99999 1.00000 1.00002 1.00003
1.00001 1.00002 0.99996 0.99997 0.99998
0.99999 0.99997 1.00005 1.00000 1.00000
0.99996 0.99997 1.00000 1.00000 0.99998
1.00002 1.00000 0.99999 1.00004 1.00002
0.99998 1.00000 1.00003 1.00000 1.00000
1.00002 1.00000 1.00000 0.99997 0.99998
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000-0.000
Vector 4: 0.000 0.000-0.000
Vector 5:-0.000 0.000-0.000 0.000
Vector 6:-0.000-0.000 0.000-0.000-0.000
Vector 7:-0.000 0.000 0.000 0.000-0.000-0.000
Vector 8:-0.000-0.000 0.000-0.000-0.000-0.000-0.000
Vector 9: 0.000-0.000 0.000 0.000-0.000-0.000-0.000-0.000
Vector 10:-0.000 0.000 0.000 0.000 0.000 0.000-0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240126155802505452.eigenfacs
Openam> file on opening on unit 10:
240126155802505452.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240126155802505452.atom
Openam> file on opening on unit 11:
240126155802505452.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 = 543
First residue number = 1
Last residue number = 543
Number of atoms found = 4063
Mean number per residue = 7.5
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9943E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9962E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9964E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9986E-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: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.3966E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 6.4222E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.8188E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 9.0924E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1183
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1463
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1602
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1986
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2482
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4037
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4504
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4962
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5346
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6173
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7353
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7925
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9496
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.052
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.076
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.192
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.350
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.387
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.430
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.539
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.658
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.732
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.974
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 2.153
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 2.320
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 2.421
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 2.531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 2.802
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 2.854
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 2.887
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 3.014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 3.124
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 3.168
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 3.314
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 3.411
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 3.524
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 3.584
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 3.627
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 3.831
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 4.131
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 4.261
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 4.550
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 4.746
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 4.966
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 5.111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 5.222
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 5.338
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 5.520
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 5.998
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 6.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 6.158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 6.363
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 6.627
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 7.000
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 7.206
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 7.385
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 7.638
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 7.809
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 8.075
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 8.349
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 8.392
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 8.773
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 8.869
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 9.040
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 9.341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 9.406
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 9.497
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 9.984
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 10.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 10.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 10.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 10.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 11.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 11.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 11.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 11.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 11.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 12.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 12.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 12.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 12.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 13.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 13.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 13.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 14.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 14.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 14.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 14.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 14.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 15.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 15.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 15.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 16.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 16.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 16.51
Bfactors> 106 vectors, 12189 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.033966
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= -0.435 for 543 C-alpha atoms.
Bfactors> = 0.499 +/- 1.63
Bfactors> = 73.930 +/- 33.41
Bfactors> Shiftng-fct= 73.431
Bfactors> Scaling-fct= 20.545
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240126155802505452 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-80
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-60
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-40
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-20
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=0
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=20
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=40
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=60
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=80
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=100
240126155802505452.eigenfacs
240126155802505452.atom
making animated gifs
11 models are in 240126155802505452.7.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 240126155802505452.7.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 240126155802505452.7.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 240126155802505452 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-80
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-60
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-40
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-20
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=0
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=20
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=40
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=60
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=80
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=100
240126155802505452.eigenfacs
240126155802505452.atom
making animated gifs
11 models are in 240126155802505452.8.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 240126155802505452.8.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 240126155802505452.8.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 240126155802505452 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-80
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-60
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-40
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-20
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=0
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=20
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=40
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=60
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=80
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=100
240126155802505452.eigenfacs
240126155802505452.atom
making animated gifs
11 models are in 240126155802505452.9.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 240126155802505452.9.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 240126155802505452.9.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 240126155802505452 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-80
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-60
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-40
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-20
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=0
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=20
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=40
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=60
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=80
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=100
240126155802505452.eigenfacs
240126155802505452.atom
making animated gifs
11 models are in 240126155802505452.10.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 240126155802505452.10.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 240126155802505452.10.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 240126155802505452 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-80
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-60
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-40
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=-20
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=0
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=20
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=40
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=60
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=80
240126155802505452.eigenfacs
240126155802505452.atom
calculating perturbed structure for DQ=100
240126155802505452.eigenfacs
240126155802505452.atom
making animated gifs
11 models are in 240126155802505452.11.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 240126155802505452.11.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 240126155802505452.11.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
240126155802505452.10.pdb
240126155802505452.11.pdb
240126155802505452.7.pdb
240126155802505452.8.pdb
240126155802505452.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m22.725s
user 0m22.659s
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: 240126155802505452.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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