*** TRANSCRIPTION/DNA 14-DEC-09 3L1P ***
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 = 2404121828463868023.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 2404121828463868023.atom to be opened.
Openam> File opened: 2404121828463868023.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 = 338
First residue number = 1
Last residue number = 23
Number of atoms found = 3063
Mean number per residue = 9.1
Pdbmat> Coordinate statistics:
= 12.125098 +/- 12.107185 From: -15.562000 To: 42.808000
= 11.638172 +/- 12.014766 From: -17.299000 To: 42.903000
= 32.783930 +/- 16.013509 From: -4.460000 To: 71.295000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'DT ' is not a well known amino-acid.
%Pdbmat-W> residue:'DC ' is not a well known amino-acid.
%Pdbmat-W> residue:'DC ' is not a well known amino-acid.
%Pdbmat-W> residue:'DA ' is not a well known amino-acid.
%Pdbmat-W> residue:'DC ' is not a well known amino-acid.
%Pdbmat-W> residue:'DA ' is not a well known amino-acid.
%Pdbmat-W> residue:'DT ' is not a well known amino-acid.
%Pdbmat-W> residue:'DT ' is not a well known amino-acid.
%Pdbmat-W> residue:'DT ' is not a well known amino-acid.
%Pdbmat-W> ........
%Pdbmat-W> 46 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 2.5648 % Filled.
Pdbmat> 1082967 non-zero elements.
Pdbmat> 118301 atom-atom interactions.
Pdbmat> Number per atom= 77.25 +/- 24.12
Maximum number = 134
Minimum number = 20
Pdbmat> Matrix trace = 2.366020E+06
Pdbmat> Larger element = 522.034
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
338 non-zero elements, NRBL set to 2
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 = 2404121828463868023.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
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 2404121828463868023.atom to be opened.
Openam> file on opening on unit 11:
2404121828463868023.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3063 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 338 residues.
Blocpdb> 10 atoms in block 1
Block first atom: 1
Blocpdb> 10 atoms in block 2
Block first atom: 11
Blocpdb> 10 atoms in block 3
Block first atom: 21
Blocpdb> 14 atoms in block 4
Block first atom: 31
Blocpdb> 14 atoms in block 5
Block first atom: 45
Blocpdb> 17 atoms in block 6
Block first atom: 59
Blocpdb> 11 atoms in block 7
Block first atom: 76
Blocpdb> 16 atoms in block 8
Block first atom: 87
Blocpdb> 14 atoms in block 9
Block first atom: 103
Blocpdb> 17 atoms in block 10
Block first atom: 117
Blocpdb> 15 atoms in block 11
Block first atom: 134
Blocpdb> 12 atoms in block 12
Block first atom: 149
Blocpdb> 19 atoms in block 13
Block first atom: 161
Blocpdb> 14 atoms in block 14
Block first atom: 180
Blocpdb> 15 atoms in block 15
Block first atom: 194
Blocpdb> 12 atoms in block 16
Block first atom: 209
Blocpdb> 15 atoms in block 17
Block first atom: 221
Blocpdb> 11 atoms in block 18
Block first atom: 236
Blocpdb> 19 atoms in block 19
Block first atom: 247
Blocpdb> 10 atoms in block 20
Block first atom: 266
Blocpdb> 18 atoms in block 21
Block first atom: 276
Blocpdb> 15 atoms in block 22
Block first atom: 294
Blocpdb> 14 atoms in block 23
Block first atom: 309
Blocpdb> 14 atoms in block 24
Block first atom: 323
Blocpdb> 22 atoms in block 25
Block first atom: 337
Blocpdb> 14 atoms in block 26
Block first atom: 359
Blocpdb> 17 atoms in block 27
Block first atom: 373
Blocpdb> 14 atoms in block 28
Block first atom: 390
Blocpdb> 14 atoms in block 29
Block first atom: 404
Blocpdb> 16 atoms in block 30
Block first atom: 418
Blocpdb> 12 atoms in block 31
Block first atom: 434
Blocpdb> 19 atoms in block 32
Block first atom: 446
Blocpdb> 15 atoms in block 33
Block first atom: 465
Blocpdb> 13 atoms in block 34
Block first atom: 480
Blocpdb> 20 atoms in block 35
Block first atom: 493
Blocpdb> 12 atoms in block 36
Block first atom: 513
Blocpdb> 14 atoms in block 37
Block first atom: 525
Blocpdb> 16 atoms in block 38
Block first atom: 539
Blocpdb> 14 atoms in block 39
Block first atom: 555
Blocpdb> 13 atoms in block 40
Block first atom: 569
Blocpdb> 14 atoms in block 41
Block first atom: 582
Blocpdb> 10 atoms in block 42
Block first atom: 596
Blocpdb> 10 atoms in block 43
Block first atom: 606
Blocpdb> 12 atoms in block 44
Block first atom: 616
Blocpdb> 16 atoms in block 45
Block first atom: 628
Blocpdb> 11 atoms in block 46
Block first atom: 644
Blocpdb> 16 atoms in block 47
Block first atom: 655
Blocpdb> 13 atoms in block 48
Block first atom: 671
Blocpdb> 13 atoms in block 49
Block first atom: 684
Blocpdb> 10 atoms in block 50
Block first atom: 697
Blocpdb> 12 atoms in block 51
Block first atom: 707
Blocpdb> 20 atoms in block 52
Block first atom: 719
Blocpdb> 17 atoms in block 53
Block first atom: 739
Blocpdb> 13 atoms in block 54
Block first atom: 756
Blocpdb> 19 atoms in block 55
Block first atom: 769
Blocpdb> 12 atoms in block 56
Block first atom: 788
Blocpdb> 16 atoms in block 57
Block first atom: 800
Blocpdb> 12 atoms in block 58
Block first atom: 816
Blocpdb> 10 atoms in block 59
Block first atom: 828
Blocpdb> 14 atoms in block 60
Block first atom: 838
Blocpdb> 10 atoms in block 61
Block first atom: 852
Blocpdb> 13 atoms in block 62
Block first atom: 862
Blocpdb> 14 atoms in block 63
Block first atom: 875
Blocpdb> 12 atoms in block 64
Block first atom: 889
Blocpdb> 17 atoms in block 65
Block first atom: 901
Blocpdb> 17 atoms in block 66
Block first atom: 918
Blocpdb> 14 atoms in block 67
Block first atom: 935
Blocpdb> 18 atoms in block 68
Block first atom: 949
Blocpdb> 25 atoms in block 69
Block first atom: 967
Blocpdb> 13 atoms in block 70
Block first atom: 992
Blocpdb> 22 atoms in block 71
Block first atom: 1005
Blocpdb> 14 atoms in block 72
Block first atom: 1027
Blocpdb> 9 atoms in block 73
Block first atom: 1041
Blocpdb> 5 atoms in block 74
Block first atom: 1050
Blocpdb> 10 atoms in block 75
Block first atom: 1055
Blocpdb> 10 atoms in block 76
Block first atom: 1065
Blocpdb> 11 atoms in block 77
Block first atom: 1075
Blocpdb> 14 atoms in block 78
Block first atom: 1086
Blocpdb> 16 atoms in block 79
Block first atom: 1100
Blocpdb> 11 atoms in block 80
Block first atom: 1116
Blocpdb> 16 atoms in block 81
Block first atom: 1127
Blocpdb> 18 atoms in block 82
Block first atom: 1143
Blocpdb> 20 atoms in block 83
Block first atom: 1161
Blocpdb> 15 atoms in block 84
Block first atom: 1181
Blocpdb> 12 atoms in block 85
Block first atom: 1196
Blocpdb> 19 atoms in block 86
Block first atom: 1208
Blocpdb> 14 atoms in block 87
Block first atom: 1227
Blocpdb> 15 atoms in block 88
Block first atom: 1241
Blocpdb> 12 atoms in block 89
Block first atom: 1256
Blocpdb> 15 atoms in block 90
Block first atom: 1268
Blocpdb> 11 atoms in block 91
Block first atom: 1283
Blocpdb> 19 atoms in block 92
Block first atom: 1294
Blocpdb> 9 atoms in block 93
Block first atom: 1313
Blocpdb> 18 atoms in block 94
Block first atom: 1322
Blocpdb> 15 atoms in block 95
Block first atom: 1340
Blocpdb> 14 atoms in block 96
Block first atom: 1355
Blocpdb> 14 atoms in block 97
Block first atom: 1369
Blocpdb> 22 atoms in block 98
Block first atom: 1383
Blocpdb> 14 atoms in block 99
Block first atom: 1405
Blocpdb> 17 atoms in block 100
Block first atom: 1419
Blocpdb> 14 atoms in block 101
Block first atom: 1436
Blocpdb> 14 atoms in block 102
Block first atom: 1450
Blocpdb> 16 atoms in block 103
Block first atom: 1464
Blocpdb> 12 atoms in block 104
Block first atom: 1480
Blocpdb> 19 atoms in block 105
Block first atom: 1492
Blocpdb> 15 atoms in block 106
Block first atom: 1511
Blocpdb> 17 atoms in block 107
Block first atom: 1526
Blocpdb> 20 atoms in block 108
Block first atom: 1543
Blocpdb> 16 atoms in block 109
Block first atom: 1563
Blocpdb> 14 atoms in block 110
Block first atom: 1579
Blocpdb> 16 atoms in block 111
Block first atom: 1593
Blocpdb> 13 atoms in block 112
Block first atom: 1609
Blocpdb> 16 atoms in block 113
Block first atom: 1622
Blocpdb> 18 atoms in block 114
Block first atom: 1638
Blocpdb> 11 atoms in block 115
Block first atom: 1656
Blocpdb> 10 atoms in block 116
Block first atom: 1667
Blocpdb> 10 atoms in block 117
Block first atom: 1677
Blocpdb> 13 atoms in block 118
Block first atom: 1687
Blocpdb> 12 atoms in block 119
Block first atom: 1700
Blocpdb> 18 atoms in block 120
Block first atom: 1712
Blocpdb> 14 atoms in block 121
Block first atom: 1730
Blocpdb> 17 atoms in block 122
Block first atom: 1744
Blocpdb> 12 atoms in block 123
Block first atom: 1761
Blocpdb> 19 atoms in block 124
Block first atom: 1773
Blocpdb> 14 atoms in block 125
Block first atom: 1792
Blocpdb> 16 atoms in block 126
Block first atom: 1806
Blocpdb> 19 atoms in block 127
Block first atom: 1822
Blocpdb> 10 atoms in block 128
Block first atom: 1841
Blocpdb> 13 atoms in block 129
Block first atom: 1851
Blocpdb> 16 atoms in block 130
Block first atom: 1864
Blocpdb> 14 atoms in block 131
Block first atom: 1880
Blocpdb> 14 atoms in block 132
Block first atom: 1894
Blocpdb> 15 atoms in block 133
Block first atom: 1908
Blocpdb> 13 atoms in block 134
Block first atom: 1923
Blocpdb> 13 atoms in block 135
Block first atom: 1936
Blocpdb> 17 atoms in block 136
Block first atom: 1949
Blocpdb> 12 atoms in block 137
Block first atom: 1966
Blocpdb> 14 atoms in block 138
Block first atom: 1978
Blocpdb> 15 atoms in block 139
Block first atom: 1992
Blocpdb> 18 atoms in block 140
Block first atom: 2007
Blocpdb> 21 atoms in block 141
Block first atom: 2025
Blocpdb> 17 atoms in block 142
Block first atom: 2046
Blocpdb> 19 atoms in block 143
Block first atom: 2063
Blocpdb> 20 atoms in block 144
Block first atom: 2082
Blocpdb> 9 atoms in block 145
Block first atom: 2102
Blocpdb> 11 atoms in block 146
Block first atom: 2111
Blocpdb> 5 atoms in block 147
Block first atom: 2122
Blocpdb> 36 atoms in block 148
Block first atom: 2127
Blocpdb> 40 atoms in block 149
Block first atom: 2163
Blocpdb> 40 atoms in block 150
Block first atom: 2203
Blocpdb> 40 atoms in block 151
Block first atom: 2243
Blocpdb> 42 atoms in block 152
Block first atom: 2283
Blocpdb> 42 atoms in block 153
Block first atom: 2325
Blocpdb> 43 atoms in block 154
Block first atom: 2367
Blocpdb> 41 atoms in block 155
Block first atom: 2410
Blocpdb> 42 atoms in block 156
Block first atom: 2451
Blocpdb> 41 atoms in block 157
Block first atom: 2493
Blocpdb> 44 atoms in block 158
Block first atom: 2534
Blocpdb> 21 atoms in block 159
Block first atom: 2578
Blocpdb> 38 atoms in block 160
Block first atom: 2599
Blocpdb> 38 atoms in block 161
Block first atom: 2637
Blocpdb> 41 atoms in block 162
Block first atom: 2675
Blocpdb> 40 atoms in block 163
Block first atom: 2716
Blocpdb> 41 atoms in block 164
Block first atom: 2756
Blocpdb> 39 atoms in block 165
Block first atom: 2797
Blocpdb> 40 atoms in block 166
Block first atom: 2836
Blocpdb> 40 atoms in block 167
Block first atom: 2876
Blocpdb> 42 atoms in block 168
Block first atom: 2916
Blocpdb> 42 atoms in block 169
Block first atom: 2958
Blocpdb> 42 atoms in block 170
Block first atom: 3000
Blocpdb> 22 atoms in block 171
Block first atom: 3041
Blocpdb> 171 blocks.
Blocpdb> At most, 44 atoms in each of them.
Blocpdb> At least, 5 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> 1083138 matrix lines read.
Prepmat> Matrix order = 9189
Prepmat> Matrix trace = 2366020.0000
Prepmat> Last element read: 9189 9189 298.7726
Prepmat> 14707 lines saved.
Prepmat> 13173 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: 3063
RTB> Total mass = 3063.0000
RTB> Number of atoms found in matrix: 3063
RTB> Number of blocks = 171
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 203973.9678
RTB> 52623 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 = 1026
Diagstd> Nb of non-zero elements: 52623
Diagstd> Projected matrix trace = 203973.9678
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1026 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 203973.9678
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 0.5213449 0.8527054 1.0843438 1.6100485
2.0425463 2.3743360 3.3175957 3.8617209 4.1984128
4.6269161 4.8406377 5.2367071 5.6848952 5.9486052
6.5341414 6.9301858 7.3881858 7.7707233 8.3266420
9.1593250 9.3515118 9.9050676 10.1150536 10.6316222
10.8776079 11.3944356 12.1576635 12.3991966 12.8985364
14.0584472 14.0949878 14.4254940 14.9155204 15.3716481
16.0647818 16.7057787 17.2511152 17.3921740 17.5561411
18.3536771 18.8780844 19.2268271 19.5914332 20.1413880
20.4886690 20.9657418 21.0322295 21.7904812 22.1014302
22.4870958 23.4219483 23.8290552 24.0723947 24.4135907
25.0014342 25.6648611 25.8486749 26.0356758 26.2323514
26.5626204 26.7896527 27.7388273 28.0792939 28.4328794
29.5198555 29.7077359 30.0571744 30.4690503 31.3151262
31.7595043 32.4037951 32.8700580 33.4320828 34.0443656
34.1500069 34.5800015 35.8040010 36.0522746 36.6713030
37.4252381 38.3952595 38.6231099 38.8314779 39.4492187
40.2269212 40.4276690 40.7209819 40.9663110 41.4917251
42.0394265 42.4012302 42.8536418 43.2379546 43.6773449
44.6202690 45.0704501 45.4054926 46.1622440 46.4980084
46.8011316
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034323 0.0034333 0.0034339 0.0034340 0.0034352
0.0034354 78.4075433 100.2754860 113.0781723 137.7890659
155.1962528 167.3271335 197.7912189 213.3957271 222.5040144
233.5829256 238.9167337 248.4988719 258.9145818 264.8517545
277.5808786 285.8694330 295.1645417 302.7094664 313.3503812
328.6449892 332.0750097 341.7621816 345.3658362 354.0748237
358.1475461 366.5571446 378.6346360 382.3772568 390.0007998
407.1589233 407.6877223 412.4398571 419.3865378 425.7508239
435.2439023 443.8422519 451.0283777 452.8686067 454.9983388
465.2183366 471.8177144 476.1558136 480.6493777 487.3488867
491.5324037 497.2220693 498.0098548 506.9074697 510.5114286
514.9463272 525.5412258 530.0888774 532.7886057 536.5511247
542.9723837 550.1292530 552.0957732 554.0892287 556.1781082
559.6683383 562.0550078 571.9253266 575.4245300 579.0361818
590.0005193 591.8750837 595.3458847 599.4110422 607.6763908
611.9728253 618.1490687 622.5805024 627.8805022 633.6039892
634.5862802 638.5689307 649.7721018 652.0210483 657.5949220
664.3203651 672.8745213 674.8680997 676.6860762 682.0472836
688.7374169 690.4538105 692.9539918 695.0382553 699.4811671
704.0826973 707.1059782 710.8682996 714.0487293 717.6676917
725.3729771 729.0229961 731.7276666 737.8001449 740.4785046
742.8881951
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3063
Rtb_to_modes> Number of blocs = 171
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: 9.9905E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9961E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.5213
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.8527
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.084
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.610
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.043
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.374
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 3.318
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.862
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 4.198
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.627
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 4.841
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 5.237
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 5.685
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 5.949
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 6.534
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 6.930
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 7.388
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 7.771
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 8.327
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 9.159
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 9.352
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 9.905
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 10.12
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 10.63
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 10.88
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 11.39
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 12.16
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 12.40
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 12.90
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 14.06
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 14.09
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 14.43
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 14.92
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 15.37
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 16.06
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 16.71
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 17.25
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 17.39
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 17.56
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 18.35
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 18.88
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 19.23
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 19.59
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 20.14
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 20.49
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 20.97
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 21.03
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 21.79
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 22.10
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 22.49
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 23.42
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 23.83
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 24.07
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 24.41
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 25.00
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 25.66
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 25.85
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 26.04
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 26.23
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 26.56
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 26.79
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 27.74
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 28.08
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 28.43
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 29.52
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 29.71
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 30.06
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 30.47
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 31.32
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 31.76
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 32.40
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 32.87
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 33.43
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 34.04
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 34.15
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 34.58
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 35.80
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 36.05
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 36.67
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 37.43
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 38.40
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 38.62
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 38.83
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 39.45
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 40.23
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 40.43
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 40.72
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 40.97
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 41.49
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 42.04
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 42.40
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 42.85
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 43.24
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 43.68
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 44.62
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 45.07
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 45.41
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 46.16
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 46.50
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 46.80
Rtb_to_modes> 106 vectors, with 1026 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 1.00000 0.99999 1.00000 1.00001
1.00000 0.99999 0.99999 0.99999 0.99999
1.00000 0.99999 1.00000 0.99998 0.99999
0.99999 0.99999 0.99998 1.00001 0.99999
1.00002 0.99997 1.00000 1.00001 1.00000
1.00002 0.99997 1.00002 0.99996 1.00001
1.00000 0.99998 1.00001 1.00000 1.00000
0.99997 1.00001 1.00002 0.99998 0.99999
0.99998 1.00001 0.99998 1.00003 0.99998
1.00000 1.00000 1.00000 1.00001 1.00001
0.99999 1.00001 1.00003 1.00001 1.00001
0.99999 1.00001 0.99999 0.99996 1.00001
1.00000 0.99999 0.99998 0.99998 1.00001
1.00000 0.99999 1.00000 1.00000 1.00000
1.00000 0.99999 1.00000 1.00003 1.00002
1.00001 1.00001 0.99998 0.99998 1.00000
0.99999 1.00000 0.99999 0.99998 1.00001
1.00000 1.00003 1.00000 1.00003 0.99999
1.00000 1.00001 1.00001 0.99999 0.99998
1.00001 1.00001 1.00002 0.99999 0.99999
0.99997 0.99997 1.00000 1.00001 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 55134 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 1.00000 0.99999 1.00000 1.00001
1.00000 0.99999 0.99999 0.99999 0.99999
1.00000 0.99999 1.00000 0.99998 0.99999
0.99999 0.99999 0.99998 1.00001 0.99999
1.00002 0.99997 1.00000 1.00001 1.00000
1.00002 0.99997 1.00002 0.99996 1.00001
1.00000 0.99998 1.00001 1.00000 1.00000
0.99997 1.00001 1.00002 0.99998 0.99999
0.99998 1.00001 0.99998 1.00003 0.99998
1.00000 1.00000 1.00000 1.00001 1.00001
0.99999 1.00001 1.00003 1.00001 1.00001
0.99999 1.00001 0.99999 0.99996 1.00001
1.00000 0.99999 0.99998 0.99998 1.00001
1.00000 0.99999 1.00000 1.00000 1.00000
1.00000 0.99999 1.00000 1.00003 1.00002
1.00001 1.00001 0.99998 0.99998 1.00000
0.99999 1.00000 0.99999 0.99998 1.00001
1.00000 1.00003 1.00000 1.00003 0.99999
1.00000 1.00001 1.00001 0.99999 0.99998
1.00001 1.00001 1.00002 0.99999 0.99999
0.99997 0.99997 1.00000 1.00001 0.99999
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> 2404121828463868023.eigenfacs
Openam> file on opening on unit 10:
2404121828463868023.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404121828463868023.atom
Openam> file on opening on unit 11:
2404121828463868023.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 = 338
First residue number = 1
Last residue number = 23
Number of atoms found = 3063
Mean number per residue = 9.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9905E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9961E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-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: 0.5213
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8527
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.084
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.610
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.043
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.374
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 3.318
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.862
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 4.198
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.627
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 4.841
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 5.237
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 5.685
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 5.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 6.534
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 6.930
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 7.388
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 7.771
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 8.327
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 9.159
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 9.352
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 9.905
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 10.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 10.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 10.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 11.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 12.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 12.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 12.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 14.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 14.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 14.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 14.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 15.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 16.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 16.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 17.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 17.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 17.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 18.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 18.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 19.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 19.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 20.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 20.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 20.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 21.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 21.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 22.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 22.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 23.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 23.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 24.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 24.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 25.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 25.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 25.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 26.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 26.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 26.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 26.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 27.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 28.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 28.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 29.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 29.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 30.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 30.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 31.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 31.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 32.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 32.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 33.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 34.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 34.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 34.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 35.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 36.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 36.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 37.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 38.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 38.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 38.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 39.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 40.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 40.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 40.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 40.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 41.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 42.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 42.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 42.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 43.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 43.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 44.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 45.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 45.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 46.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 46.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 46.80
Bfactors> 106 vectors, 9189 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 : 0.521300
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= 0.540 for 292 C-alpha atoms.
Bfactors> = 0.068 +/- 0.10
Bfactors> = 79.167 +/- 19.18
Bfactors> Shiftng-fct= 79.099
Bfactors> Scaling-fct= 195.030
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404121828463868023 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-80
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-60
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-40
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-20
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=0
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=20
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=40
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=60
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=80
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=100
2404121828463868023.eigenfacs
2404121828463868023.atom
making animated gifs
11 models are in 2404121828463868023.7.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 2404121828463868023.7.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 2404121828463868023.7.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 2404121828463868023 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-80
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-60
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-40
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-20
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=0
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=20
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=40
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=60
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=80
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=100
2404121828463868023.eigenfacs
2404121828463868023.atom
making animated gifs
11 models are in 2404121828463868023.8.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 2404121828463868023.8.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 2404121828463868023.8.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 2404121828463868023 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-80
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-60
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-40
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-20
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=0
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=20
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=40
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=60
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=80
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=100
2404121828463868023.eigenfacs
2404121828463868023.atom
making animated gifs
11 models are in 2404121828463868023.9.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 2404121828463868023.9.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 2404121828463868023.9.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 2404121828463868023 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-80
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-60
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-40
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-20
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=0
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=20
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=40
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=60
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=80
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=100
2404121828463868023.eigenfacs
2404121828463868023.atom
making animated gifs
11 models are in 2404121828463868023.10.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 2404121828463868023.10.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 2404121828463868023.10.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 2404121828463868023 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-80
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-60
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-40
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=-20
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=0
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=20
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=40
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=60
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=80
2404121828463868023.eigenfacs
2404121828463868023.atom
calculating perturbed structure for DQ=100
2404121828463868023.eigenfacs
2404121828463868023.atom
making animated gifs
11 models are in 2404121828463868023.11.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 2404121828463868023.11.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 2404121828463868023.11.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
2404121828463868023.10.pdb
2404121828463868023.11.pdb
2404121828463868023.7.pdb
2404121828463868023.8.pdb
2404121828463868023.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m18.300s
user 0m18.232s
sys 0m0.068s
../../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: 2404121828463868023.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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