*** model_4 ***
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 = 2401070358044186240.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 2401070358044186240.atom to be opened.
Openam> File opened: 2401070358044186240.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 = 721
First residue number = 1
Last residue number = 721
Number of atoms found = 7016
Mean number per residue = 9.7
Pdbmat> Coordinate statistics:
= 43.951866 +/- 27.316709 From: -9.252000 To: 109.832000
= 2.499462 +/- 20.994964 From: -46.426000 To: 46.844000
= 35.166254 +/- 18.137471 From: -4.099000 To: 82.980000
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 1.3226 % Filled.
Pdbmat> 2929835 non-zero elements.
Pdbmat> 320921 atom-atom interactions.
Pdbmat> Number per atom= 91.48 +/- 27.26
Maximum number = 151
Minimum number = 13
Pdbmat> Matrix trace = 6.418420E+06
Pdbmat> Larger element = 615.383
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
721 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 = 2401070358044186240.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 2401070358044186240.atom to be opened.
Openam> file on opening on unit 11:
2401070358044186240.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 7016 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> 721 residues.
Blocpdb> 42 atoms in block 1
Block first atom: 1
Blocpdb> 41 atoms in block 2
Block first atom: 43
Blocpdb> 38 atoms in block 3
Block first atom: 84
Blocpdb> 29 atoms in block 4
Block first atom: 122
Blocpdb> 47 atoms in block 5
Block first atom: 151
Blocpdb> 39 atoms in block 6
Block first atom: 198
Blocpdb> 43 atoms in block 7
Block first atom: 237
Blocpdb> 38 atoms in block 8
Block first atom: 280
Blocpdb> 41 atoms in block 9
Block first atom: 318
Blocpdb> 42 atoms in block 10
Block first atom: 359
Blocpdb> 38 atoms in block 11
Block first atom: 401
Blocpdb> 41 atoms in block 12
Block first atom: 439
Blocpdb> 54 atoms in block 13
Block first atom: 480
Blocpdb> 46 atoms in block 14
Block first atom: 534
Blocpdb> 37 atoms in block 15
Block first atom: 580
Blocpdb> 46 atoms in block 16
Block first atom: 617
Blocpdb> 37 atoms in block 17
Block first atom: 663
Blocpdb> 34 atoms in block 18
Block first atom: 700
Blocpdb> 39 atoms in block 19
Block first atom: 734
Blocpdb> 33 atoms in block 20
Block first atom: 773
Blocpdb> 37 atoms in block 21
Block first atom: 806
Blocpdb> 33 atoms in block 22
Block first atom: 843
Blocpdb> 37 atoms in block 23
Block first atom: 876
Blocpdb> 35 atoms in block 24
Block first atom: 913
Blocpdb> 33 atoms in block 25
Block first atom: 948
Blocpdb> 26 atoms in block 26
Block first atom: 981
Blocpdb> 41 atoms in block 27
Block first atom: 1007
Blocpdb> 37 atoms in block 28
Block first atom: 1048
Blocpdb> 34 atoms in block 29
Block first atom: 1085
Blocpdb> 34 atoms in block 30
Block first atom: 1119
Blocpdb> 43 atoms in block 31
Block first atom: 1153
Blocpdb> 44 atoms in block 32
Block first atom: 1196
Blocpdb> 38 atoms in block 33
Block first atom: 1240
Blocpdb> 44 atoms in block 34
Block first atom: 1278
Blocpdb> 32 atoms in block 35
Block first atom: 1322
Blocpdb> 40 atoms in block 36
Block first atom: 1354
Blocpdb> 41 atoms in block 37
Block first atom: 1394
Blocpdb> 36 atoms in block 38
Block first atom: 1435
Blocpdb> 47 atoms in block 39
Block first atom: 1471
Blocpdb> 41 atoms in block 40
Block first atom: 1518
Blocpdb> 39 atoms in block 41
Block first atom: 1559
Blocpdb> 34 atoms in block 42
Block first atom: 1598
Blocpdb> 42 atoms in block 43
Block first atom: 1632
Blocpdb> 37 atoms in block 44
Block first atom: 1674
Blocpdb> 30 atoms in block 45
Block first atom: 1711
Blocpdb> 28 atoms in block 46
Block first atom: 1741
Blocpdb> 30 atoms in block 47
Block first atom: 1769
Blocpdb> 42 atoms in block 48
Block first atom: 1799
Blocpdb> 37 atoms in block 49
Block first atom: 1841
Blocpdb> 44 atoms in block 50
Block first atom: 1878
Blocpdb> 35 atoms in block 51
Block first atom: 1922
Blocpdb> 35 atoms in block 52
Block first atom: 1957
Blocpdb> 48 atoms in block 53
Block first atom: 1992
Blocpdb> 40 atoms in block 54
Block first atom: 2040
Blocpdb> 38 atoms in block 55
Block first atom: 2080
Blocpdb> 35 atoms in block 56
Block first atom: 2118
Blocpdb> 35 atoms in block 57
Block first atom: 2153
Blocpdb> 33 atoms in block 58
Block first atom: 2188
Blocpdb> 40 atoms in block 59
Block first atom: 2221
Blocpdb> 40 atoms in block 60
Block first atom: 2261
Blocpdb> 41 atoms in block 61
Block first atom: 2301
Blocpdb> 43 atoms in block 62
Block first atom: 2342
Blocpdb> 39 atoms in block 63
Block first atom: 2385
Blocpdb> 46 atoms in block 64
Block first atom: 2424
Blocpdb> 46 atoms in block 65
Block first atom: 2470
Blocpdb> 39 atoms in block 66
Block first atom: 2516
Blocpdb> 38 atoms in block 67
Block first atom: 2555
Blocpdb> 39 atoms in block 68
Block first atom: 2593
Blocpdb> 42 atoms in block 69
Block first atom: 2632
Blocpdb> 55 atoms in block 70
Block first atom: 2674
Blocpdb> 35 atoms in block 71
Block first atom: 2729
Blocpdb> 44 atoms in block 72
Block first atom: 2764
Blocpdb> 52 atoms in block 73
Block first atom: 2808
Blocpdb> 32 atoms in block 74
Block first atom: 2860
Blocpdb> 39 atoms in block 75
Block first atom: 2892
Blocpdb> 40 atoms in block 76
Block first atom: 2931
Blocpdb> 31 atoms in block 77
Block first atom: 2971
Blocpdb> 37 atoms in block 78
Block first atom: 3002
Blocpdb> 40 atoms in block 79
Block first atom: 3039
Blocpdb> 43 atoms in block 80
Block first atom: 3079
Blocpdb> 41 atoms in block 81
Block first atom: 3122
Blocpdb> 36 atoms in block 82
Block first atom: 3163
Blocpdb> 34 atoms in block 83
Block first atom: 3199
Blocpdb> 39 atoms in block 84
Block first atom: 3233
Blocpdb> 30 atoms in block 85
Block first atom: 3272
Blocpdb> 30 atoms in block 86
Block first atom: 3302
Blocpdb> 31 atoms in block 87
Block first atom: 3332
Blocpdb> 28 atoms in block 88
Block first atom: 3363
Blocpdb> 38 atoms in block 89
Block first atom: 3391
Blocpdb> 36 atoms in block 90
Block first atom: 3429
Blocpdb> 28 atoms in block 91
Block first atom: 3465
Blocpdb> 39 atoms in block 92
Block first atom: 3493
Blocpdb> 46 atoms in block 93
Block first atom: 3532
Blocpdb> 52 atoms in block 94
Block first atom: 3578
Blocpdb> 46 atoms in block 95
Block first atom: 3630
Blocpdb> 43 atoms in block 96
Block first atom: 3676
Blocpdb> 39 atoms in block 97
Block first atom: 3719
Blocpdb> 30 atoms in block 98
Block first atom: 3758
Blocpdb> 39 atoms in block 99
Block first atom: 3788
Blocpdb> 39 atoms in block 100
Block first atom: 3827
Blocpdb> 37 atoms in block 101
Block first atom: 3866
Blocpdb> 41 atoms in block 102
Block first atom: 3903
Blocpdb> 53 atoms in block 103
Block first atom: 3944
Blocpdb> 43 atoms in block 104
Block first atom: 3997
Blocpdb> 47 atoms in block 105
Block first atom: 4040
Blocpdb> 41 atoms in block 106
Block first atom: 4087
Blocpdb> 42 atoms in block 107
Block first atom: 4128
Blocpdb> 37 atoms in block 108
Block first atom: 4170
Blocpdb> 32 atoms in block 109
Block first atom: 4207
Blocpdb> 39 atoms in block 110
Block first atom: 4239
Blocpdb> 44 atoms in block 111
Block first atom: 4278
Blocpdb> 36 atoms in block 112
Block first atom: 4322
Blocpdb> 38 atoms in block 113
Block first atom: 4358
Blocpdb> 33 atoms in block 114
Block first atom: 4396
Blocpdb> 36 atoms in block 115
Block first atom: 4429
Blocpdb> 43 atoms in block 116
Block first atom: 4465
Blocpdb> 36 atoms in block 117
Block first atom: 4508
Blocpdb> 44 atoms in block 118
Block first atom: 4544
Blocpdb> 46 atoms in block 119
Block first atom: 4588
Blocpdb> 35 atoms in block 120
Block first atom: 4634
Blocpdb> 40 atoms in block 121
Block first atom: 4669
Blocpdb> 50 atoms in block 122
Block first atom: 4709
Blocpdb> 34 atoms in block 123
Block first atom: 4759
Blocpdb> 31 atoms in block 124
Block first atom: 4793
Blocpdb> 34 atoms in block 125
Block first atom: 4824
Blocpdb> 41 atoms in block 126
Block first atom: 4858
Blocpdb> 35 atoms in block 127
Block first atom: 4899
Blocpdb> 39 atoms in block 128
Block first atom: 4934
Blocpdb> 42 atoms in block 129
Block first atom: 4973
Blocpdb> 32 atoms in block 130
Block first atom: 5015
Blocpdb> 42 atoms in block 131
Block first atom: 5047
Blocpdb> 34 atoms in block 132
Block first atom: 5089
Blocpdb> 40 atoms in block 133
Block first atom: 5123
Blocpdb> 42 atoms in block 134
Block first atom: 5163
Blocpdb> 33 atoms in block 135
Block first atom: 5205
Blocpdb> 34 atoms in block 136
Block first atom: 5238
Blocpdb> 33 atoms in block 137
Block first atom: 5272
Blocpdb> 34 atoms in block 138
Block first atom: 5305
Blocpdb> 41 atoms in block 139
Block first atom: 5339
Blocpdb> 45 atoms in block 140
Block first atom: 5380
Blocpdb> 39 atoms in block 141
Block first atom: 5425
Blocpdb> 36 atoms in block 142
Block first atom: 5464
Blocpdb> 34 atoms in block 143
Block first atom: 5500
Blocpdb> 38 atoms in block 144
Block first atom: 5534
Blocpdb> 32 atoms in block 145
Block first atom: 5572
Blocpdb> 41 atoms in block 146
Block first atom: 5604
Blocpdb> 44 atoms in block 147
Block first atom: 5645
Blocpdb> 36 atoms in block 148
Block first atom: 5689
Blocpdb> 56 atoms in block 149
Block first atom: 5725
Blocpdb> 34 atoms in block 150
Block first atom: 5781
Blocpdb> 38 atoms in block 151
Block first atom: 5815
Blocpdb> 40 atoms in block 152
Block first atom: 5853
Blocpdb> 39 atoms in block 153
Block first atom: 5893
Blocpdb> 44 atoms in block 154
Block first atom: 5932
Blocpdb> 30 atoms in block 155
Block first atom: 5976
Blocpdb> 42 atoms in block 156
Block first atom: 6006
Blocpdb> 27 atoms in block 157
Block first atom: 6048
Blocpdb> 35 atoms in block 158
Block first atom: 6075
Blocpdb> 42 atoms in block 159
Block first atom: 6110
Blocpdb> 37 atoms in block 160
Block first atom: 6152
Blocpdb> 45 atoms in block 161
Block first atom: 6189
Blocpdb> 44 atoms in block 162
Block first atom: 6234
Blocpdb> 37 atoms in block 163
Block first atom: 6278
Blocpdb> 46 atoms in block 164
Block first atom: 6315
Blocpdb> 42 atoms in block 165
Block first atom: 6361
Blocpdb> 42 atoms in block 166
Block first atom: 6403
Blocpdb> 43 atoms in block 167
Block first atom: 6445
Blocpdb> 36 atoms in block 168
Block first atom: 6488
Blocpdb> 43 atoms in block 169
Block first atom: 6524
Blocpdb> 38 atoms in block 170
Block first atom: 6567
Blocpdb> 36 atoms in block 171
Block first atom: 6605
Blocpdb> 45 atoms in block 172
Block first atom: 6641
Blocpdb> 38 atoms in block 173
Block first atom: 6686
Blocpdb> 32 atoms in block 174
Block first atom: 6724
Blocpdb> 40 atoms in block 175
Block first atom: 6756
Blocpdb> 44 atoms in block 176
Block first atom: 6796
Blocpdb> 48 atoms in block 177
Block first atom: 6840
Blocpdb> 42 atoms in block 178
Block first atom: 6888
Blocpdb> 34 atoms in block 179
Block first atom: 6930
Blocpdb> 40 atoms in block 180
Block first atom: 6964
Blocpdb> 13 atoms in block 181
Block first atom: 7003
Blocpdb> 181 blocks.
Blocpdb> At most, 56 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> 2930016 matrix lines read.
Prepmat> Matrix order = 21048
Prepmat> Matrix trace = 6418420.0000
Prepmat> Last element read: 21048 21048 146.3721
Prepmat> 16472 lines saved.
Prepmat> 14964 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: 7016
RTB> Total mass = 7016.0000
RTB> Number of atoms found in matrix: 7016
RTB> Number of blocks = 181
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 236843.1437
RTB> 51537 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 1086
Diagstd> Nb of non-zero elements: 51537
Diagstd> Projected matrix trace = 236843.1437
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1086 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 236843.1437
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 0.0437429 0.0579065 0.1062890 0.1926942
0.2457833 0.3328658 0.5308255 0.6212009 0.7792438
0.8988104 1.0293703 1.3711593 1.4246882 1.7928743
2.1244028 2.3289469 2.6154696 2.8356266 2.9849790
3.3741253 3.8558395 4.0538928 4.3797947 4.5104883
4.6682621 5.4787830 5.6193027 5.8597126 6.0399857
6.9680289 8.2647427 8.4355408 9.1145128 9.2743818
9.5799119 10.1474889 10.3489828 10.7735700 10.9806695
11.6326423 12.5817904 12.7632106 13.2315353 13.7569628
14.1296459 15.2334647 15.6819090 16.7195353 17.6589563
18.0666856 18.3252581 19.1687553 19.4081594 19.8866503
20.4250530 21.0043075 21.8744117 22.3193289 22.8607396
23.4098144 24.2526915 25.0554609 25.8620706 26.2154660
26.3950114 26.7962915 27.5993481 28.3684307 28.5211032
28.7769878 29.3982336 29.7218824 29.9863220 30.9205868
31.3295164 31.6756922 32.1735784 32.5890876 33.0850503
33.9422540 34.5644870 34.8258730 34.9990254 35.3088908
35.6576000 36.4194974 36.5419619 37.3291079 37.9546473
38.3315165 38.4244560 38.8180884 39.7843066 39.9670283
40.3726949 40.5544870 40.9534219 41.0481583 41.8610656
42.1166392
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034320 0.0034321 0.0034330 0.0034332 0.0034335
0.0034338 22.7116612 26.1311750 35.4029522 47.6682993
53.8358387 62.6512719 79.1172510 85.5876892 95.8587941
102.9507054 110.1745029 127.1566988 129.6149788 145.4019403
158.2755051 165.7200551 175.6184411 182.8604557 187.6142919
199.4692183 213.2331648 218.6409026 227.2595582 230.6253599
234.6242496 254.1776321 257.4165677 262.8654078 266.8782831
286.6488820 312.1835023 315.3927778 327.8400518 330.7027193
336.1058234 345.9191236 349.3366188 356.4306957 359.8402094
370.3688618 385.1824609 387.9495463 395.0030061 402.7694868
408.1886445 423.8328602 430.0260296 444.0249583 456.3287133
461.5667583 464.8580226 475.4361900 478.3959074 484.2572130
490.7687227 497.6791704 507.8827605 513.0218311 519.2068563
525.4050780 534.7801163 543.5587343 552.2388124 555.9990778
557.8998023 562.1246463 570.4856071 578.3795597 579.9338250
582.5295306 588.7838626 592.0159889 594.6437799 603.8361975
607.8159970 611.1648060 615.9492961 619.9139098 624.6132311
632.6530699 638.4256661 640.8350925 642.4262168 645.2638245
648.4422959 655.3333265 656.4342167 663.4666322 669.0025305
672.3157435 673.1303063 676.5694018 684.9378665 686.5089593
689.9842066 691.5359087 694.9289078 695.7322235 702.5875014
704.7289858
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 7016
Rtb_to_modes> Number of blocs = 181
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9888E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9894E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9947E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9955E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9974E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.3743E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 5.7907E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.1063
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.1927
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.2458
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.3329
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.5308
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.6212
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.7792
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.8988
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.029
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 1.371
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 1.425
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 1.793
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 2.124
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 2.329
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 2.615
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 2.836
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 2.985
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 3.374
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 3.856
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 4.054
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 4.380
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 4.510
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 4.668
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 5.479
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 5.619
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 5.860
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 6.040
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 6.968
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 8.265
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 8.436
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 9.115
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 9.274
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 9.580
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 10.15
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 10.35
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 10.77
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 10.98
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 11.63
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 12.58
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 12.76
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 13.23
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 13.76
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 14.13
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 15.23
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 15.68
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 16.72
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 17.66
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 18.07
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 18.33
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 19.17
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 19.41
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 19.89
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 20.43
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 21.00
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 21.87
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 22.32
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 22.86
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 23.41
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 24.25
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 25.06
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 25.86
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 26.22
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 26.40
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 26.80
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 27.60
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 28.37
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 28.52
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 28.78
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 29.40
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 29.72
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 29.99
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 30.92
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 31.33
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 31.68
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 32.17
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 32.59
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 33.09
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 33.94
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 34.56
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 34.83
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 35.00
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 35.31
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 35.66
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 36.42
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 36.54
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 37.33
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 37.95
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 38.33
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 38.42
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 38.82
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 39.78
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 39.97
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 40.37
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 40.55
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 40.95
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 41.05
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 41.86
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 42.12
Rtb_to_modes> 106 vectors, with 1086 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 0.99999 1.00000 1.00000
1.00000 0.99999 1.00002 0.99999 1.00001
1.00000 0.99999 1.00000 0.99999 0.99999
0.99998 1.00000 1.00004 1.00004 1.00000
1.00002 1.00002 1.00002 0.99998 1.00003
1.00000 0.99999 0.99998 1.00000 0.99999
1.00001 1.00000 0.99999 0.99998 1.00002
1.00002 0.99996 0.99997 0.99998 0.99998
0.99997 0.99995 0.99999 1.00001 0.99999
1.00002 1.00000 0.99999 1.00001 0.99998
1.00000 1.00003 1.00000 1.00002 1.00000
1.00000 0.99999 0.99998 1.00000 0.99998
1.00000 0.99997 1.00000 1.00003 1.00001
0.99998 1.00003 1.00000 1.00000 1.00001
1.00001 0.99999 0.99998 1.00003 1.00000
0.99997 1.00001 1.00001 0.99999 0.99998
1.00000 1.00000 1.00001 1.00000 1.00002
0.99999 1.00001 1.00000 0.99996 1.00002
1.00001 1.00002 0.99998 1.00000 0.99999
1.00001 1.00000 1.00003 0.99998 1.00006
1.00001 1.00002 1.00000 0.99999 1.00001
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 126288 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 0.99999 1.00000 1.00000
1.00000 0.99999 1.00002 0.99999 1.00001
1.00000 0.99999 1.00000 0.99999 0.99999
0.99998 1.00000 1.00004 1.00004 1.00000
1.00002 1.00002 1.00002 0.99998 1.00003
1.00000 0.99999 0.99998 1.00000 0.99999
1.00001 1.00000 0.99999 0.99998 1.00002
1.00002 0.99996 0.99997 0.99998 0.99998
0.99997 0.99995 0.99999 1.00001 0.99999
1.00002 1.00000 0.99999 1.00001 0.99998
1.00000 1.00003 1.00000 1.00002 1.00000
1.00000 0.99999 0.99998 1.00000 0.99998
1.00000 0.99997 1.00000 1.00003 1.00001
0.99998 1.00003 1.00000 1.00000 1.00001
1.00001 0.99999 0.99998 1.00003 1.00000
0.99997 1.00001 1.00001 0.99999 0.99998
1.00000 1.00000 1.00001 1.00000 1.00002
0.99999 1.00001 1.00000 0.99996 1.00002
1.00001 1.00002 0.99998 1.00000 0.99999
1.00001 1.00000 1.00003 0.99998 1.00006
1.00001 1.00002 1.00000 0.99999 1.00001
0.99999
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> 2401070358044186240.eigenfacs
Openam> file on opening on unit 10:
2401070358044186240.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401070358044186240.atom
Openam> file on opening on unit 11:
2401070358044186240.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 = 721
First residue number = 1
Last residue number = 721
Number of atoms found = 7016
Mean number per residue = 9.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9888E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9894E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9947E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9955E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9974E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 4.3743E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.7907E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1063
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1927
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2458
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3329
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5308
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6212
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7792
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8988
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.029
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.371
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 1.425
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 1.793
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.124
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.329
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.615
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 2.836
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 2.985
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.374
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 3.856
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.054
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.380
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.668
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.479
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.619
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.860
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.040
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 8.265
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 8.436
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 9.115
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 9.274
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 9.580
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 10.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 10.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 10.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 10.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 11.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 12.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 12.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 13.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 13.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 14.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 15.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 15.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 16.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 17.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 18.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 18.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 19.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 19.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 19.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 20.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 21.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 21.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 22.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 22.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 23.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 24.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 25.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 25.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 26.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 26.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 26.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 27.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 28.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 28.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 28.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 29.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 29.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 29.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 30.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 31.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 31.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 32.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 32.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 33.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 33.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 34.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 34.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 35.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 35.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 35.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 36.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 36.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 37.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 37.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 38.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 38.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 38.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 39.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 39.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 40.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 40.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 40.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 41.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 41.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 42.12
Bfactors> 106 vectors, 21048 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 : 0.043743
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.161 +/- 0.16
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.161
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401070358044186240 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-80
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-60
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-40
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-20
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=0
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=20
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=40
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=60
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=80
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=100
2401070358044186240.eigenfacs
2401070358044186240.atom
making animated gifs
11 models are in 2401070358044186240.7.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 2401070358044186240.7.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 2401070358044186240.7.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 2401070358044186240 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-80
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-60
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-40
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-20
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=0
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=20
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=40
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=60
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=80
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=100
2401070358044186240.eigenfacs
2401070358044186240.atom
making animated gifs
11 models are in 2401070358044186240.8.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 2401070358044186240.8.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 2401070358044186240.8.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 2401070358044186240 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-80
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-60
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-40
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-20
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=0
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=20
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=40
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=60
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=80
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=100
2401070358044186240.eigenfacs
2401070358044186240.atom
making animated gifs
11 models are in 2401070358044186240.9.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 2401070358044186240.9.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 2401070358044186240.9.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 2401070358044186240 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-80
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-60
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-40
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-20
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=0
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=20
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=40
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=60
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=80
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=100
2401070358044186240.eigenfacs
2401070358044186240.atom
making animated gifs
11 models are in 2401070358044186240.10.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 2401070358044186240.10.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 2401070358044186240.10.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 2401070358044186240 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-80
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-60
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-40
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=-20
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=0
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=20
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=40
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=60
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=80
2401070358044186240.eigenfacs
2401070358044186240.atom
calculating perturbed structure for DQ=100
2401070358044186240.eigenfacs
2401070358044186240.atom
making animated gifs
11 models are in 2401070358044186240.11.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 2401070358044186240.11.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 2401070358044186240.11.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
2401070358044186240.10.pdb
2401070358044186240.11.pdb
2401070358044186240.7.pdb
2401070358044186240.8.pdb
2401070358044186240.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m34.027s
user 0m33.863s
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: 2401070358044186240.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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