*** 7MLM completo ***
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 = 240324204001499207.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 240324204001499207.atom to be opened.
Openam> File opened: 240324204001499207.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 = 726
First residue number = 27
Last residue number = 156
Number of atoms found = 5814
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= 30.169537 +/- 19.264134 From: -9.425000 To: 85.310000
= 25.259051 +/- 17.514286 From: -10.476000 To: 69.535000
= 2.947890 +/- 15.488971 From: -29.363000 To: 42.212000
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 1.4698 % Filled.
Pdbmat> 2235915 non-zero elements.
Pdbmat> 244604 atom-atom interactions.
Pdbmat> Number per atom= 84.14 +/- 20.60
Maximum number = 128
Minimum number = 10
Pdbmat> Matrix trace = 4.892080E+06
Pdbmat> Larger element = 503.267
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
726 non-zero elements, NRBL set to 4
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 = 240324204001499207.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 4
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 240324204001499207.atom to be opened.
Openam> file on opening on unit 11:
240324204001499207.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5814 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 4 residue(s) per block.
Blocpdb> 726 residues.
Blocpdb> 30 atoms in block 1
Block first atom: 1
Blocpdb> 29 atoms in block 2
Block first atom: 31
Blocpdb> 36 atoms in block 3
Block first atom: 60
Blocpdb> 31 atoms in block 4
Block first atom: 96
Blocpdb> 32 atoms in block 5
Block first atom: 127
Blocpdb> 30 atoms in block 6
Block first atom: 159
Blocpdb> 27 atoms in block 7
Block first atom: 189
Blocpdb> 32 atoms in block 8
Block first atom: 216
Blocpdb> 33 atoms in block 9
Block first atom: 248
Blocpdb> 32 atoms in block 10
Block first atom: 281
Blocpdb> 31 atoms in block 11
Block first atom: 313
Blocpdb> 35 atoms in block 12
Block first atom: 344
Blocpdb> 34 atoms in block 13
Block first atom: 379
Blocpdb> 39 atoms in block 14
Block first atom: 413
Blocpdb> 33 atoms in block 15
Block first atom: 452
Blocpdb> 32 atoms in block 16
Block first atom: 485
Blocpdb> 32 atoms in block 17
Block first atom: 517
Blocpdb> 38 atoms in block 18
Block first atom: 549
Blocpdb> 32 atoms in block 19
Block first atom: 587
Blocpdb> 30 atoms in block 20
Block first atom: 619
Blocpdb> 27 atoms in block 21
Block first atom: 649
Blocpdb> 32 atoms in block 22
Block first atom: 676
Blocpdb> 30 atoms in block 23
Block first atom: 708
Blocpdb> 27 atoms in block 24
Block first atom: 738
Blocpdb> 25 atoms in block 25
Block first atom: 765
Blocpdb> 33 atoms in block 26
Block first atom: 790
Blocpdb> 28 atoms in block 27
Block first atom: 823
Blocpdb> 29 atoms in block 28
Block first atom: 851
Blocpdb> 29 atoms in block 29
Block first atom: 880
Blocpdb> 30 atoms in block 30
Block first atom: 909
Blocpdb> 32 atoms in block 31
Block first atom: 939
Blocpdb> 34 atoms in block 32
Block first atom: 971
Blocpdb> 30 atoms in block 33
Block first atom: 1005
Blocpdb> 37 atoms in block 34
Block first atom: 1035
Blocpdb> 29 atoms in block 35
Block first atom: 1072
Blocpdb> 35 atoms in block 36
Block first atom: 1101
Blocpdb> 29 atoms in block 37
Block first atom: 1136
Blocpdb> 33 atoms in block 38
Block first atom: 1165
Blocpdb> 29 atoms in block 39
Block first atom: 1198
Blocpdb> 40 atoms in block 40
Block first atom: 1227
Blocpdb> 31 atoms in block 41
Block first atom: 1267
Blocpdb> 31 atoms in block 42
Block first atom: 1298
Blocpdb> 39 atoms in block 43
Block first atom: 1329
Blocpdb> 33 atoms in block 44
Block first atom: 1368
Blocpdb> 29 atoms in block 45
Block first atom: 1401
Blocpdb> 30 atoms in block 46
Block first atom: 1430
Blocpdb> 31 atoms in block 47
Block first atom: 1460
Blocpdb> 36 atoms in block 48
Block first atom: 1491
Blocpdb> 33 atoms in block 49
Block first atom: 1527
Blocpdb> 30 atoms in block 50
Block first atom: 1560
Blocpdb> 35 atoms in block 51
Block first atom: 1590
Blocpdb> 30 atoms in block 52
Block first atom: 1625
Blocpdb> 33 atoms in block 53
Block first atom: 1655
Blocpdb> 30 atoms in block 54
Block first atom: 1688
Blocpdb> 30 atoms in block 55
Block first atom: 1718
Blocpdb> 30 atoms in block 56
Block first atom: 1748
Blocpdb> 29 atoms in block 57
Block first atom: 1778
Blocpdb> 37 atoms in block 58
Block first atom: 1807
Blocpdb> 32 atoms in block 59
Block first atom: 1844
Blocpdb> 37 atoms in block 60
Block first atom: 1876
Blocpdb> 33 atoms in block 61
Block first atom: 1913
Blocpdb> 33 atoms in block 62
Block first atom: 1946
Blocpdb> 29 atoms in block 63
Block first atom: 1979
Blocpdb> 29 atoms in block 64
Block first atom: 2008
Blocpdb> 32 atoms in block 65
Block first atom: 2037
Blocpdb> 37 atoms in block 66
Block first atom: 2069
Blocpdb> 35 atoms in block 67
Block first atom: 2106
Blocpdb> 33 atoms in block 68
Block first atom: 2141
Blocpdb> 35 atoms in block 69
Block first atom: 2174
Blocpdb> 29 atoms in block 70
Block first atom: 2209
Blocpdb> 26 atoms in block 71
Block first atom: 2238
Blocpdb> 27 atoms in block 72
Block first atom: 2264
Blocpdb> 25 atoms in block 73
Block first atom: 2291
Blocpdb> 38 atoms in block 74
Block first atom: 2316
Blocpdb> 31 atoms in block 75
Block first atom: 2354
Blocpdb> 44 atoms in block 76
Block first atom: 2385
Blocpdb> 29 atoms in block 77
Block first atom: 2429
Blocpdb> 33 atoms in block 78
Block first atom: 2458
Blocpdb> 35 atoms in block 79
Block first atom: 2491
Blocpdb> 33 atoms in block 80
Block first atom: 2526
Blocpdb> 34 atoms in block 81
Block first atom: 2559
Blocpdb> 31 atoms in block 82
Block first atom: 2593
Blocpdb> 30 atoms in block 83
Block first atom: 2624
Blocpdb> 27 atoms in block 84
Block first atom: 2654
Blocpdb> 34 atoms in block 85
Block first atom: 2681
Blocpdb> 29 atoms in block 86
Block first atom: 2715
Blocpdb> 27 atoms in block 87
Block first atom: 2744
Blocpdb> 36 atoms in block 88
Block first atom: 2771
Blocpdb> 38 atoms in block 89
Block first atom: 2807
Blocpdb> 31 atoms in block 90
Block first atom: 2845
Blocpdb> 22 atoms in block 91
Block first atom: 2876
Blocpdb> 34 atoms in block 92
Block first atom: 2898
Blocpdb> 25 atoms in block 93
Block first atom: 2932
Blocpdb> 37 atoms in block 94
Block first atom: 2957
Blocpdb> 33 atoms in block 95
Block first atom: 2994
Blocpdb> 25 atoms in block 96
Block first atom: 3027
Blocpdb> 27 atoms in block 97
Block first atom: 3052
Blocpdb> 31 atoms in block 98
Block first atom: 3079
Blocpdb> 34 atoms in block 99
Block first atom: 3110
Blocpdb> 35 atoms in block 100
Block first atom: 3144
Blocpdb> 36 atoms in block 101
Block first atom: 3179
Blocpdb> 35 atoms in block 102
Block first atom: 3215
Blocpdb> 34 atoms in block 103
Block first atom: 3250
Blocpdb> 30 atoms in block 104
Block first atom: 3284
Blocpdb> 32 atoms in block 105
Block first atom: 3314
Blocpdb> 36 atoms in block 106
Block first atom: 3346
Blocpdb> 34 atoms in block 107
Block first atom: 3382
Blocpdb> 31 atoms in block 108
Block first atom: 3416
Blocpdb> 35 atoms in block 109
Block first atom: 3447
Blocpdb> 31 atoms in block 110
Block first atom: 3482
Blocpdb> 25 atoms in block 111
Block first atom: 3513
Blocpdb> 31 atoms in block 112
Block first atom: 3538
Blocpdb> 26 atoms in block 113
Block first atom: 3569
Blocpdb> 34 atoms in block 114
Block first atom: 3595
Blocpdb> 31 atoms in block 115
Block first atom: 3629
Blocpdb> 32 atoms in block 116
Block first atom: 3660
Blocpdb> 27 atoms in block 117
Block first atom: 3692
Blocpdb> 34 atoms in block 118
Block first atom: 3719
Blocpdb> 30 atoms in block 119
Block first atom: 3753
Blocpdb> 32 atoms in block 120
Block first atom: 3783
Blocpdb> 32 atoms in block 121
Block first atom: 3815
Blocpdb> 36 atoms in block 122
Block first atom: 3847
Blocpdb> 33 atoms in block 123
Block first atom: 3883
Blocpdb> 36 atoms in block 124
Block first atom: 3916
Blocpdb> 30 atoms in block 125
Block first atom: 3952
Blocpdb> 34 atoms in block 126
Block first atom: 3982
Blocpdb> 35 atoms in block 127
Block first atom: 4016
Blocpdb> 34 atoms in block 128
Block first atom: 4051
Blocpdb> 37 atoms in block 129
Block first atom: 4085
Blocpdb> 32 atoms in block 130
Block first atom: 4122
Blocpdb> 29 atoms in block 131
Block first atom: 4154
Blocpdb> 32 atoms in block 132
Block first atom: 4183
Blocpdb> 29 atoms in block 133
Block first atom: 4215
Blocpdb> 31 atoms in block 134
Block first atom: 4244
Blocpdb> 34 atoms in block 135
Block first atom: 4275
Blocpdb> 32 atoms in block 136
Block first atom: 4309
Blocpdb> 40 atoms in block 137
Block first atom: 4341
Blocpdb> 36 atoms in block 138
Block first atom: 4381
Blocpdb> 26 atoms in block 139
Block first atom: 4417
Blocpdb> 34 atoms in block 140
Block first atom: 4443
Blocpdb> 37 atoms in block 141
Block first atom: 4477
Blocpdb> 39 atoms in block 142
Block first atom: 4514
Blocpdb> 32 atoms in block 143
Block first atom: 4553
Blocpdb> 28 atoms in block 144
Block first atom: 4585
Blocpdb> 26 atoms in block 145
Block first atom: 4613
Blocpdb> 27 atoms in block 146
Block first atom: 4639
Blocpdb> 33 atoms in block 147
Block first atom: 4666
Blocpdb> 13 atoms in block 148
Block first atom: 4699
Blocpdb> 43 atoms in block 149
Block first atom: 4712
Blocpdb> 26 atoms in block 150
Block first atom: 4755
Blocpdb> 29 atoms in block 151
Block first atom: 4781
Blocpdb> 36 atoms in block 152
Block first atom: 4810
Blocpdb> 32 atoms in block 153
Block first atom: 4846
Blocpdb> 35 atoms in block 154
Block first atom: 4878
Blocpdb> 26 atoms in block 155
Block first atom: 4913
Blocpdb> 30 atoms in block 156
Block first atom: 4939
Blocpdb> 34 atoms in block 157
Block first atom: 4969
Blocpdb> 30 atoms in block 158
Block first atom: 5003
Blocpdb> 33 atoms in block 159
Block first atom: 5033
Blocpdb> 37 atoms in block 160
Block first atom: 5066
Blocpdb> 29 atoms in block 161
Block first atom: 5103
Blocpdb> 43 atoms in block 162
Block first atom: 5132
Blocpdb> 35 atoms in block 163
Block first atom: 5175
Blocpdb> 27 atoms in block 164
Block first atom: 5210
Blocpdb> 32 atoms in block 165
Block first atom: 5237
Blocpdb> 38 atoms in block 166
Block first atom: 5269
Blocpdb> 31 atoms in block 167
Block first atom: 5307
Blocpdb> 30 atoms in block 168
Block first atom: 5338
Blocpdb> 37 atoms in block 169
Block first atom: 5368
Blocpdb> 30 atoms in block 170
Block first atom: 5405
Blocpdb> 29 atoms in block 171
Block first atom: 5435
Blocpdb> 28 atoms in block 172
Block first atom: 5464
Blocpdb> 32 atoms in block 173
Block first atom: 5492
Blocpdb> 32 atoms in block 174
Block first atom: 5524
Blocpdb> 35 atoms in block 175
Block first atom: 5556
Blocpdb> 37 atoms in block 176
Block first atom: 5591
Blocpdb> 27 atoms in block 177
Block first atom: 5628
Blocpdb> 22 atoms in block 178
Block first atom: 5655
Blocpdb> 33 atoms in block 179
Block first atom: 5677
Blocpdb> 34 atoms in block 180
Block first atom: 5710
Blocpdb> 34 atoms in block 181
Block first atom: 5744
Blocpdb> 37 atoms in block 182
Block first atom: 5777
Blocpdb> 182 blocks.
Blocpdb> At most, 44 atoms in each of them.
Blocpdb> At least, 13 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 2236097 matrix lines read.
Prepmat> Matrix order = 17442
Prepmat> Matrix trace = 4892080.0000
Prepmat> Last element read: 17442 17442 67.0432
Prepmat> 16654 lines saved.
Prepmat> 15056 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: 5814
RTB> Total mass = 5814.0000
RTB> Number of atoms found in matrix: 5814
RTB> Number of blocks = 182
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 228829.5129
RTB> 54762 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 = 1092
Diagstd> Nb of non-zero elements: 54762
Diagstd> Projected matrix trace = 228829.5129
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1092 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 228829.5129
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 0.0834696 0.1232855 0.3333686 0.6439557
0.9023561 1.3287233 1.7632312 1.9821925 2.6251159
3.7315708 4.3489778 4.7566028 5.0743292 5.9950951
6.5401167 6.9716722 7.5399985 7.9723812 8.6964453
9.6257203 10.1133153 11.0114615 12.5731473 13.2516021
14.2981080 14.3763978 14.9770058 16.7631431 17.7589154
17.8471158 19.7746840 19.9498443 20.1880094 21.5647023
22.3375815 22.7195393 23.3512309 24.9650126 25.4355624
26.2011312 26.6751738 27.4435893 27.9471827 29.0025310
29.2875223 29.8399503 30.7425803 31.2849635 31.7952921
32.2301842 32.7595598 33.6617962 34.6730416 35.3155206
35.6645630 36.4024622 37.1284086 37.4622566 38.0839342
38.5155659 39.0675352 39.8814205 40.2085247 40.4012461
41.2093604 41.9663022 42.2703111 42.6219265 43.2286475
43.6243500 44.2851017 44.8774497 45.1372181 46.1101389
46.2309385 46.6731683 47.3137350 47.7548934 48.0229406
48.4028614 48.8554978 48.9306413 49.1184920 49.4458795
50.0702711 50.5998402 50.6406307 51.0719942 51.5677646
52.1700058 52.2296835 52.5456108 53.1926960 53.5952999
54.1409112 54.6143821 54.7517226 55.7643330 56.1965752
56.5013003
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034330 0.0034337 0.0034345 0.0034348 0.0034351
0.0034356 31.3732483 38.1286338 62.6985668 87.1411473
103.1535701 125.1735449 144.1949036 152.8861685 175.9420000
209.7689118 226.4586296 236.8338219 244.6158523 265.8846829
277.7077690 286.7238099 298.1816477 306.6121125 320.2330591
336.9084470 345.3361590 360.3443879 385.0501367 395.3024202
410.6147695 411.7374035 420.2500547 444.6036326 457.6184224
458.7534058 482.8920514 485.0260180 487.9125958 504.2745068
513.2315606 517.6009208 524.7472482 542.5767445 547.6662172
555.8470446 560.8528216 568.8735427 574.0692664 584.8078991
587.6741614 593.1906925 602.0955786 607.3836634 612.3175259
616.4909051 621.5331673 630.0339083 639.4274119 645.3244002
648.5056046 655.1800430 661.6806706 664.6488341 670.1409910
673.9278777 678.7397537 685.7733276 688.5799134 690.2281392
697.0970058 703.4700819 706.0134952 708.9438153 713.9718753
717.2321767 722.6435050 727.4604130 729.5627886 737.3836363
738.3489051 741.8719000 746.9454682 750.4196887 752.5227865
755.4936150 759.0178713 759.6013607 761.0580650 763.5901780
768.3962768 772.4490672 772.7603547 776.0446125 779.8021584
784.3424540 784.7909337 787.1608804 791.9928879 794.9844480
799.0207553 802.5069321 803.5153434 810.9116431 814.0483580
816.2524571
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5814
Rtb_to_modes> Number of blocs = 182
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: 9.9945E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9982E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0010E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 8.3470E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1233
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3334
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.6440
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.9024
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.329
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.763
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.982
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.625
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 3.732
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 4.349
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 4.757
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 5.074
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 5.995
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 6.540
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 6.972
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 7.540
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 7.972
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 8.696
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 9.626
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 10.11
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 11.01
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 12.57
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 13.25
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 14.30
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 14.38
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 14.98
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 16.76
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 17.76
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 17.85
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 19.77
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 19.95
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 20.19
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 21.56
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 22.34
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 22.72
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 23.35
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 24.97
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 25.44
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 26.20
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 26.68
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 27.44
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 27.95
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 29.00
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 29.29
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 29.84
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 30.74
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 31.28
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 31.80
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 32.23
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 32.76
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 33.66
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 34.67
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 35.32
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 35.66
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 36.40
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 37.13
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 37.46
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 38.08
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 38.52
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 39.07
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 39.88
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 40.21
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 40.40
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 41.21
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 41.97
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 42.27
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 42.62
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 43.23
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 43.62
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 44.29
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 44.88
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 45.14
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 46.11
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 46.23
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 46.67
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 47.31
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 47.75
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 48.02
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 48.40
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 48.86
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 48.93
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 49.12
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 49.45
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 50.07
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 50.60
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 50.64
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 51.07
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 51.57
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 52.17
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 52.23
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 52.55
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 53.19
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 53.60
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 54.14
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 54.61
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 54.75
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 55.76
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 56.20
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 56.50
Rtb_to_modes> 106 vectors, with 1092 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99998 0.99998 1.00000 1.00001
1.00000 0.99999 1.00000 1.00000 1.00000
1.00000 0.99998 0.99998 1.00000 0.99998
1.00000 1.00000 1.00001 1.00000 1.00001
1.00000 1.00000 1.00003 1.00001 1.00000
0.99999 1.00000 1.00000 1.00000 1.00003
0.99999 1.00002 1.00001 1.00001 1.00000
1.00002 1.00000 1.00002 0.99999 1.00002
1.00001 1.00001 1.00001 1.00000 0.99999
1.00000 0.99999 1.00000 0.99999 0.99999
1.00001 1.00001 0.99998 1.00000 1.00001
1.00001 1.00002 0.99999 1.00001 0.99999
1.00001 1.00000 1.00000 0.99999 0.99999
1.00000 1.00001 0.99999 1.00002 1.00001
1.00000 0.99999 1.00001 1.00000 0.99999
0.99999 0.99999 0.99998 0.99999 1.00000
1.00000 0.99999 1.00001 1.00000 1.00000
0.99999 1.00001 1.00000 1.00000 1.00000
1.00000 0.99998 0.99999 0.99999 1.00000
0.99999 0.99999 1.00000 1.00000 1.00000
0.99999 1.00001 0.99999 1.00001 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 104652 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99998 0.99998 1.00000 1.00001
1.00000 0.99999 1.00000 1.00000 1.00000
1.00000 0.99998 0.99998 1.00000 0.99998
1.00000 1.00000 1.00001 1.00000 1.00001
1.00000 1.00000 1.00003 1.00001 1.00000
0.99999 1.00000 1.00000 1.00000 1.00003
0.99999 1.00002 1.00001 1.00001 1.00000
1.00002 1.00000 1.00002 0.99999 1.00002
1.00001 1.00001 1.00001 1.00000 0.99999
1.00000 0.99999 1.00000 0.99999 0.99999
1.00001 1.00001 0.99998 1.00000 1.00001
1.00001 1.00002 0.99999 1.00001 0.99999
1.00001 1.00000 1.00000 0.99999 0.99999
1.00000 1.00001 0.99999 1.00002 1.00001
1.00000 0.99999 1.00001 1.00000 0.99999
0.99999 0.99999 0.99998 0.99999 1.00000
1.00000 0.99999 1.00001 1.00000 1.00000
0.99999 1.00001 1.00000 1.00000 1.00000
1.00000 0.99998 0.99999 0.99999 1.00000
0.99999 0.99999 1.00000 1.00000 1.00000
0.99999 1.00001 0.99999 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> 240324204001499207.eigenfacs
Openam> file on opening on unit 10:
240324204001499207.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240324204001499207.atom
Openam> file on opening on unit 11:
240324204001499207.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 = 726
First residue number = 27
Last residue number = 156
Number of atoms found = 5814
Mean number per residue = 8.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9945E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9982E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0010E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 8.3470E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1233
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3334
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6440
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9024
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.329
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.763
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.982
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.625
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 3.732
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 4.349
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 4.757
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 5.074
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 5.995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 6.540
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 6.972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 7.540
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 7.972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 8.696
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 9.626
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 10.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 11.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 12.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 13.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 14.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 14.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 14.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 16.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 17.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 17.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 19.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 19.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 20.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 21.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 22.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 22.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 23.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 24.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 25.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 26.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 26.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 27.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 27.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 29.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 29.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 29.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 30.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 31.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 31.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 32.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 32.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 33.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 34.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 35.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 35.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 36.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 37.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 37.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 38.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 38.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 39.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 39.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 40.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 40.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 41.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 41.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 42.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 42.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 43.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 43.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 44.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 44.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 45.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 46.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 46.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 46.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 47.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 47.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 48.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 48.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 48.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 48.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 49.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 49.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 50.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 50.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 50.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 51.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 51.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 52.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 52.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 52.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 53.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 53.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 54.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 54.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 54.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 55.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 56.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 56.50
Bfactors> 106 vectors, 17442 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 : 0.083470
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= 0.603 for 727 C-alpha atoms.
Bfactors> = 0.085 +/- 0.08
Bfactors> = 32.168 +/- 11.41
Bfactors> Shiftng-fct= 32.083
Bfactors> Scaling-fct= 144.802
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240324204001499207 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-80
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-60
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-40
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-20
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=0
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=20
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=40
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=60
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=80
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=100
240324204001499207.eigenfacs
240324204001499207.atom
making animated gifs
11 models are in 240324204001499207.7.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 240324204001499207.7.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 240324204001499207.7.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 240324204001499207 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-80
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-60
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-40
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-20
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=0
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=20
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=40
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=60
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=80
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=100
240324204001499207.eigenfacs
240324204001499207.atom
making animated gifs
11 models are in 240324204001499207.8.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 240324204001499207.8.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 240324204001499207.8.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 240324204001499207 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-80
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-60
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-40
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-20
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=0
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=20
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=40
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=60
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=80
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=100
240324204001499207.eigenfacs
240324204001499207.atom
making animated gifs
11 models are in 240324204001499207.9.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 240324204001499207.9.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 240324204001499207.9.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 240324204001499207 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-80
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-60
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-40
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-20
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=0
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=20
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=40
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=60
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=80
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=100
240324204001499207.eigenfacs
240324204001499207.atom
making animated gifs
11 models are in 240324204001499207.10.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 240324204001499207.10.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 240324204001499207.10.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 240324204001499207 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-80
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-60
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-40
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=-20
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=0
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=20
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=40
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=60
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=80
240324204001499207.eigenfacs
240324204001499207.atom
calculating perturbed structure for DQ=100
240324204001499207.eigenfacs
240324204001499207.atom
making animated gifs
11 models are in 240324204001499207.11.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 240324204001499207.11.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 240324204001499207.11.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
240324204001499207.10.pdb
240324204001499207.11.pdb
240324204001499207.7.pdb
240324204001499207.8.pdb
240324204001499207.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m29.475s
user 0m29.306s
sys 0m0.140s
../../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: 240324204001499207.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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