*** TLR4-MD2 ***
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 = 2404080903442958768.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 2404080903442958768.atom to be opened.
Openam> File opened: 2404080903442958768.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 = 741
First residue number = 27
Last residue number = 158
Number of atoms found = 5936
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= 9.263748 +/- 14.103933 From: -22.273000 To: 49.701000
= 0.990488 +/- 18.282029 From: -36.056000 To: 51.594000
= 20.206725 +/- 20.788238 From: -21.044000 To: 64.781000
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 1.4170 % Filled.
Pdbmat> 2246962 non-zero elements.
Pdbmat> 245749 atom-atom interactions.
Pdbmat> Number per atom= 82.80 +/- 21.00
Maximum number = 131
Minimum number = 13
Pdbmat> Matrix trace = 4.914980E+06
Pdbmat> Larger element = 478.780
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
741 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 = 2404080903442958768.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 2404080903442958768.atom to be opened.
Openam> file on opening on unit 11:
2404080903442958768.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5936 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> 741 residues.
Blocpdb> 29 atoms in block 1
Block first atom: 1
Blocpdb> 30 atoms in block 2
Block first atom: 30
Blocpdb> 35 atoms in block 3
Block first atom: 60
Blocpdb> 32 atoms in block 4
Block first atom: 95
Blocpdb> 39 atoms in block 5
Block first atom: 127
Blocpdb> 32 atoms in block 6
Block first atom: 166
Blocpdb> 34 atoms in block 7
Block first atom: 198
Blocpdb> 30 atoms in block 8
Block first atom: 232
Blocpdb> 30 atoms in block 9
Block first atom: 262
Blocpdb> 34 atoms in block 10
Block first atom: 292
Blocpdb> 33 atoms in block 11
Block first atom: 326
Blocpdb> 35 atoms in block 12
Block first atom: 359
Blocpdb> 35 atoms in block 13
Block first atom: 394
Blocpdb> 33 atoms in block 14
Block first atom: 429
Blocpdb> 30 atoms in block 15
Block first atom: 462
Blocpdb> 34 atoms in block 16
Block first atom: 492
Blocpdb> 33 atoms in block 17
Block first atom: 526
Blocpdb> 29 atoms in block 18
Block first atom: 559
Blocpdb> 29 atoms in block 19
Block first atom: 588
Blocpdb> 31 atoms in block 20
Block first atom: 617
Blocpdb> 31 atoms in block 21
Block first atom: 648
Blocpdb> 27 atoms in block 22
Block first atom: 679
Blocpdb> 28 atoms in block 23
Block first atom: 706
Blocpdb> 28 atoms in block 24
Block first atom: 734
Blocpdb> 24 atoms in block 25
Block first atom: 762
Blocpdb> 32 atoms in block 26
Block first atom: 786
Blocpdb> 27 atoms in block 27
Block first atom: 818
Blocpdb> 32 atoms in block 28
Block first atom: 845
Blocpdb> 28 atoms in block 29
Block first atom: 877
Blocpdb> 34 atoms in block 30
Block first atom: 905
Blocpdb> 31 atoms in block 31
Block first atom: 939
Blocpdb> 33 atoms in block 32
Block first atom: 970
Blocpdb> 28 atoms in block 33
Block first atom: 1003
Blocpdb> 34 atoms in block 34
Block first atom: 1031
Blocpdb> 35 atoms in block 35
Block first atom: 1065
Blocpdb> 36 atoms in block 36
Block first atom: 1100
Blocpdb> 33 atoms in block 37
Block first atom: 1136
Blocpdb> 32 atoms in block 38
Block first atom: 1169
Blocpdb> 34 atoms in block 39
Block first atom: 1201
Blocpdb> 29 atoms in block 40
Block first atom: 1235
Blocpdb> 31 atoms in block 41
Block first atom: 1264
Blocpdb> 33 atoms in block 42
Block first atom: 1295
Blocpdb> 34 atoms in block 43
Block first atom: 1328
Blocpdb> 34 atoms in block 44
Block first atom: 1362
Blocpdb> 32 atoms in block 45
Block first atom: 1396
Blocpdb> 30 atoms in block 46
Block first atom: 1428
Blocpdb> 29 atoms in block 47
Block first atom: 1458
Blocpdb> 35 atoms in block 48
Block first atom: 1487
Blocpdb> 25 atoms in block 49
Block first atom: 1522
Blocpdb> 37 atoms in block 50
Block first atom: 1547
Blocpdb> 38 atoms in block 51
Block first atom: 1584
Blocpdb> 34 atoms in block 52
Block first atom: 1622
Blocpdb> 35 atoms in block 53
Block first atom: 1656
Blocpdb> 29 atoms in block 54
Block first atom: 1691
Blocpdb> 30 atoms in block 55
Block first atom: 1720
Blocpdb> 29 atoms in block 56
Block first atom: 1750
Blocpdb> 26 atoms in block 57
Block first atom: 1779
Blocpdb> 36 atoms in block 58
Block first atom: 1805
Blocpdb> 28 atoms in block 59
Block first atom: 1841
Blocpdb> 39 atoms in block 60
Block first atom: 1869
Blocpdb> 29 atoms in block 61
Block first atom: 1908
Blocpdb> 37 atoms in block 62
Block first atom: 1937
Blocpdb> 28 atoms in block 63
Block first atom: 1974
Blocpdb> 26 atoms in block 64
Block first atom: 2002
Blocpdb> 32 atoms in block 65
Block first atom: 2028
Blocpdb> 39 atoms in block 66
Block first atom: 2060
Blocpdb> 33 atoms in block 67
Block first atom: 2099
Blocpdb> 40 atoms in block 68
Block first atom: 2132
Blocpdb> 32 atoms in block 69
Block first atom: 2172
Blocpdb> 33 atoms in block 70
Block first atom: 2204
Blocpdb> 30 atoms in block 71
Block first atom: 2237
Blocpdb> 29 atoms in block 72
Block first atom: 2267
Blocpdb> 28 atoms in block 73
Block first atom: 2296
Blocpdb> 35 atoms in block 74
Block first atom: 2324
Blocpdb> 35 atoms in block 75
Block first atom: 2359
Blocpdb> 37 atoms in block 76
Block first atom: 2394
Blocpdb> 37 atoms in block 77
Block first atom: 2431
Blocpdb> 32 atoms in block 78
Block first atom: 2468
Blocpdb> 34 atoms in block 79
Block first atom: 2500
Blocpdb> 31 atoms in block 80
Block first atom: 2534
Blocpdb> 32 atoms in block 81
Block first atom: 2565
Blocpdb> 32 atoms in block 82
Block first atom: 2597
Blocpdb> 37 atoms in block 83
Block first atom: 2629
Blocpdb> 30 atoms in block 84
Block first atom: 2666
Blocpdb> 21 atoms in block 85
Block first atom: 2696
Blocpdb> 33 atoms in block 86
Block first atom: 2717
Blocpdb> 29 atoms in block 87
Block first atom: 2750
Blocpdb> 36 atoms in block 88
Block first atom: 2779
Blocpdb> 33 atoms in block 89
Block first atom: 2815
Blocpdb> 26 atoms in block 90
Block first atom: 2848
Blocpdb> 30 atoms in block 91
Block first atom: 2874
Blocpdb> 27 atoms in block 92
Block first atom: 2904
Blocpdb> 30 atoms in block 93
Block first atom: 2931
Blocpdb> 30 atoms in block 94
Block first atom: 2961
Blocpdb> 36 atoms in block 95
Block first atom: 2991
Blocpdb> 29 atoms in block 96
Block first atom: 3027
Blocpdb> 30 atoms in block 97
Block first atom: 3056
Blocpdb> 31 atoms in block 98
Block first atom: 3086
Blocpdb> 29 atoms in block 99
Block first atom: 3117
Blocpdb> 36 atoms in block 100
Block first atom: 3146
Blocpdb> 36 atoms in block 101
Block first atom: 3182
Blocpdb> 32 atoms in block 102
Block first atom: 3218
Blocpdb> 32 atoms in block 103
Block first atom: 3250
Blocpdb> 33 atoms in block 104
Block first atom: 3282
Blocpdb> 33 atoms in block 105
Block first atom: 3315
Blocpdb> 35 atoms in block 106
Block first atom: 3348
Blocpdb> 36 atoms in block 107
Block first atom: 3383
Blocpdb> 33 atoms in block 108
Block first atom: 3419
Blocpdb> 30 atoms in block 109
Block first atom: 3452
Blocpdb> 31 atoms in block 110
Block first atom: 3482
Blocpdb> 31 atoms in block 111
Block first atom: 3513
Blocpdb> 29 atoms in block 112
Block first atom: 3544
Blocpdb> 32 atoms in block 113
Block first atom: 3573
Blocpdb> 23 atoms in block 114
Block first atom: 3605
Blocpdb> 37 atoms in block 115
Block first atom: 3628
Blocpdb> 34 atoms in block 116
Block first atom: 3665
Blocpdb> 35 atoms in block 117
Block first atom: 3699
Blocpdb> 35 atoms in block 118
Block first atom: 3734
Blocpdb> 34 atoms in block 119
Block first atom: 3769
Blocpdb> 29 atoms in block 120
Block first atom: 3803
Blocpdb> 35 atoms in block 121
Block first atom: 3832
Blocpdb> 28 atoms in block 122
Block first atom: 3867
Blocpdb> 30 atoms in block 123
Block first atom: 3895
Blocpdb> 28 atoms in block 124
Block first atom: 3925
Blocpdb> 32 atoms in block 125
Block first atom: 3953
Blocpdb> 32 atoms in block 126
Block first atom: 3985
Blocpdb> 36 atoms in block 127
Block first atom: 4017
Blocpdb> 34 atoms in block 128
Block first atom: 4053
Blocpdb> 34 atoms in block 129
Block first atom: 4087
Blocpdb> 30 atoms in block 130
Block first atom: 4121
Blocpdb> 32 atoms in block 131
Block first atom: 4151
Blocpdb> 34 atoms in block 132
Block first atom: 4183
Blocpdb> 33 atoms in block 133
Block first atom: 4217
Blocpdb> 33 atoms in block 134
Block first atom: 4250
Blocpdb> 36 atoms in block 135
Block first atom: 4283
Blocpdb> 30 atoms in block 136
Block first atom: 4319
Blocpdb> 32 atoms in block 137
Block first atom: 4349
Blocpdb> 32 atoms in block 138
Block first atom: 4381
Blocpdb> 32 atoms in block 139
Block first atom: 4413
Blocpdb> 28 atoms in block 140
Block first atom: 4445
Blocpdb> 36 atoms in block 141
Block first atom: 4473
Blocpdb> 39 atoms in block 142
Block first atom: 4509
Blocpdb> 37 atoms in block 143
Block first atom: 4548
Blocpdb> 32 atoms in block 144
Block first atom: 4585
Blocpdb> 36 atoms in block 145
Block first atom: 4617
Blocpdb> 28 atoms in block 146
Block first atom: 4653
Blocpdb> 28 atoms in block 147
Block first atom: 4681
Blocpdb> 30 atoms in block 148
Block first atom: 4709
Blocpdb> 28 atoms in block 149
Block first atom: 4739
Blocpdb> 31 atoms in block 150
Block first atom: 4767
Blocpdb> 6 atoms in block 151
Block first atom: 4798
Blocpdb> 39 atoms in block 152
Block first atom: 4804
Blocpdb> 35 atoms in block 153
Block first atom: 4843
Blocpdb> 25 atoms in block 154
Block first atom: 4878
Blocpdb> 32 atoms in block 155
Block first atom: 4903
Blocpdb> 33 atoms in block 156
Block first atom: 4935
Blocpdb> 38 atoms in block 157
Block first atom: 4968
Blocpdb> 29 atoms in block 158
Block first atom: 5006
Blocpdb> 30 atoms in block 159
Block first atom: 5035
Blocpdb> 31 atoms in block 160
Block first atom: 5065
Blocpdb> 28 atoms in block 161
Block first atom: 5096
Blocpdb> 30 atoms in block 162
Block first atom: 5124
Blocpdb> 39 atoms in block 163
Block first atom: 5154
Blocpdb> 37 atoms in block 164
Block first atom: 5193
Blocpdb> 34 atoms in block 165
Block first atom: 5230
Blocpdb> 39 atoms in block 166
Block first atom: 5264
Blocpdb> 34 atoms in block 167
Block first atom: 5303
Blocpdb> 31 atoms in block 168
Block first atom: 5337
Blocpdb> 35 atoms in block 169
Block first atom: 5368
Blocpdb> 33 atoms in block 170
Block first atom: 5403
Blocpdb> 27 atoms in block 171
Block first atom: 5436
Blocpdb> 36 atoms in block 172
Block first atom: 5463
Blocpdb> 34 atoms in block 173
Block first atom: 5499
Blocpdb> 26 atoms in block 174
Block first atom: 5533
Blocpdb> 31 atoms in block 175
Block first atom: 5559
Blocpdb> 28 atoms in block 176
Block first atom: 5590
Blocpdb> 37 atoms in block 177
Block first atom: 5618
Blocpdb> 32 atoms in block 178
Block first atom: 5655
Blocpdb> 28 atoms in block 179
Block first atom: 5687
Blocpdb> 34 atoms in block 180
Block first atom: 5715
Blocpdb> 29 atoms in block 181
Block first atom: 5749
Blocpdb> 23 atoms in block 182
Block first atom: 5778
Blocpdb> 34 atoms in block 183
Block first atom: 5801
Blocpdb> 34 atoms in block 184
Block first atom: 5835
Blocpdb> 34 atoms in block 185
Block first atom: 5869
Blocpdb> 34 atoms in block 186
Block first atom: 5902
Blocpdb> 186 blocks.
Blocpdb> At most, 40 atoms in each of them.
Blocpdb> At least, 6 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> 2247148 matrix lines read.
Prepmat> Matrix order = 17808
Prepmat> Matrix trace = 4914980.0000
Prepmat> Last element read: 17808 17808 26.4697
Prepmat> 17392 lines saved.
Prepmat> 15776 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: 5936
RTB> Total mass = 5936.0000
RTB> Number of atoms found in matrix: 5936
RTB> Number of blocks = 186
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 229077.5088
RTB> 55350 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 = 1116
Diagstd> Nb of non-zero elements: 55350
Diagstd> Projected matrix trace = 229077.5088
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1116 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 229077.5088
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 0.0735973 0.1109533 0.3004551 0.5010109
0.8079071 1.2093892 1.4339835 1.9562703 2.3096550
3.3564882 3.8907351 4.1803621 4.4475856 5.5216988
5.5845097 6.0485513 6.3071430 7.4680346 7.7971510
8.6225094 9.1577779 10.1158208 11.1041426 11.8948001
12.3960527 12.7378060 13.6709938 14.3024842 15.0163962
15.4556715 16.5274865 17.1066483 17.7790943 18.4203599
18.8357135 19.0534615 19.9171089 20.6485005 21.8759649
22.4178590 22.5686743 23.7178028 24.9466722 25.4926601
26.1299146 26.3445639 26.7029842 27.4008894 27.6645637
28.5942153 29.4825952 29.8633837 30.4328367 30.5077393
31.3374412 31.7611267 31.9105278 32.8515853 33.2042009
34.2083693 34.5905173 34.7758633 35.4938885 35.9365387
36.4882762 36.9977432 37.7392124 38.1511478 38.7058118
39.5356937 40.1188991 40.5714141 41.0554601 41.4399789
41.8567026 42.1762079 42.8725258 42.8846367 43.6619990
44.0126330 44.5038668 44.6985751 45.0293629 45.3218320
46.2418994 46.7065387 46.9313894 47.4936829 47.7812881
48.0495903 48.2278758 48.6275086 48.8567344 49.1983201
49.8474849 50.1859912 50.6235395 51.0373379 51.2587738
51.4674850
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034322 0.0034331 0.0034332 0.0034342 0.0034344
0.0034344 29.4595547 36.1714026 59.5230309 76.8632717
97.6058815 119.4203442 130.0371237 151.8831922 165.0322568
198.9472046 214.1958802 222.0251792 229.0115778 255.1711893
256.6184068 267.0674523 272.7166281 296.7552708 303.2237769
318.8688674 328.6172316 345.3789335 361.8576817 374.5189999
382.3287765 387.5632552 401.5090354 410.6776034 420.8023329
426.9128420 441.4674480 449.1358731 457.8783371 466.0626888
471.2879313 474.0042368 484.6279185 493.4458935 507.9007907
514.1529682 515.8795410 528.8499981 542.3774074 548.2805731
555.0911146 557.3664039 561.1451063 568.4308105 571.1592219
580.6766622 589.6280491 593.4235636 599.0547249 599.7914816
607.8928657 611.9884567 613.4261337 622.4055347 625.7369440
635.1283031 638.6660177 640.3748103 646.9520158 650.9736395
655.9518382 660.5153234 667.1011612 670.7320890 675.5902458
682.7944177 687.8120561 691.6802143 695.7941000 699.0448538
702.5508874 705.2271849 711.0249090 711.1253291 717.5416052
720.4170046 724.4262084 726.0091928 728.6906241 731.0532438
738.4364272 742.1370648 743.9212868 748.3645460 750.6270430
752.7315590 754.1267518 757.2447827 759.0274772 761.6762559
766.6848922 769.2837054 772.6299406 775.7812648 777.4623856
779.0435811
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5936
Rtb_to_modes> Number of blocs = 186
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: 9.9900E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9950E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9958E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 7.3597E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1110
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3005
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.5010
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.8079
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.209
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.434
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.956
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.310
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 3.356
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 3.891
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 4.180
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 4.448
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 5.522
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 5.585
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 6.049
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 6.307
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 7.468
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 7.797
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 8.623
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 9.158
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 10.12
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 11.10
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 11.89
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 12.40
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 12.74
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 13.67
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 14.30
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 15.02
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 15.46
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 16.53
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 17.11
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 17.78
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 18.42
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 18.84
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 19.05
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 19.92
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 20.65
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 21.88
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 22.42
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 22.57
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 23.72
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 24.95
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 25.49
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 26.13
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 26.34
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 26.70
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 27.40
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 27.66
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 28.59
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 29.48
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 29.86
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 30.43
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 30.51
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 31.34
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 31.76
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 31.91
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 32.85
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 33.20
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 34.21
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 34.59
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 34.78
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 35.49
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 35.94
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 36.49
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 37.00
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 37.74
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 38.15
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 38.71
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 39.54
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 40.12
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 40.57
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 41.06
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 41.44
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 41.86
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 42.18
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 42.87
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 42.88
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 43.66
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 44.01
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 44.50
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 44.70
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 45.03
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 45.32
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 46.24
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 46.71
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 46.93
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 47.49
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 47.78
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 48.05
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 48.23
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 48.63
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 48.86
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 49.20
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 49.85
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 50.19
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 50.62
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 51.04
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 51.26
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 51.47
Rtb_to_modes> 106 vectors, with 1116 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 1.00000 1.00000 0.99999
1.00000 1.00001 0.99999 0.99999 1.00002
0.99999 0.99999 1.00000 1.00001 0.99998
1.00002 1.00000 0.99999 1.00002 1.00000
1.00003 1.00000 1.00000 0.99998 1.00000
0.99999 1.00000 1.00000 1.00000 0.99999
1.00001 1.00003 1.00000 1.00000 0.99999
1.00000 0.99998 1.00002 1.00001 1.00001
0.99999 1.00001 0.99999 1.00002 1.00002
1.00001 1.00001 0.99999 0.99999 0.99999
0.99997 1.00001 1.00001 0.99998 1.00000
1.00000 1.00002 1.00000 1.00001 1.00001
1.00002 1.00000 1.00002 0.99998 1.00000
0.99999 0.99999 1.00000 0.99999 1.00001
1.00002 1.00001 1.00000 0.99999 0.99999
1.00001 0.99999 0.99999 0.99999 1.00002
1.00001 1.00003 1.00000 0.99999 0.99999
1.00002 0.99999 0.99999 0.99998 0.99999
1.00000 0.99999 0.99999 1.00000 0.99999
1.00002 1.00001 0.99997 0.99999 1.00001
0.99999 1.00001 1.00000 1.00001 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 106848 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 1.00000 1.00000 0.99999
1.00000 1.00001 0.99999 0.99999 1.00002
0.99999 0.99999 1.00000 1.00001 0.99998
1.00002 1.00000 0.99999 1.00002 1.00000
1.00003 1.00000 1.00000 0.99998 1.00000
0.99999 1.00000 1.00000 1.00000 0.99999
1.00001 1.00003 1.00000 1.00000 0.99999
1.00000 0.99998 1.00002 1.00001 1.00001
0.99999 1.00001 0.99999 1.00002 1.00002
1.00001 1.00001 0.99999 0.99999 0.99999
0.99997 1.00001 1.00001 0.99998 1.00000
1.00000 1.00002 1.00000 1.00001 1.00001
1.00002 1.00000 1.00002 0.99998 1.00000
0.99999 0.99999 1.00000 0.99999 1.00001
1.00002 1.00001 1.00000 0.99999 0.99999
1.00001 0.99999 0.99999 0.99999 1.00002
1.00001 1.00003 1.00000 0.99999 0.99999
1.00002 0.99999 0.99999 0.99998 0.99999
1.00000 0.99999 0.99999 1.00000 0.99999
1.00002 1.00001 0.99997 0.99999 1.00001
0.99999 1.00001 1.00000 1.00001 0.99999
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000-0.000
Vector 4:-0.000 0.000-0.000
Vector 5:-0.000-0.000-0.000 0.000
Vector 6:-0.000-0.000 0.000 0.000-0.000
Vector 7:-0.000-0.000-0.000 0.000 0.000 0.000
Vector 8: 0.000 0.000-0.000-0.000-0.000 0.000 0.000
Vector 9: 0.000-0.000-0.000 0.000 0.000 0.000-0.000 0.000
Vector 10:-0.000-0.000-0.000 0.000 0.000 0.000-0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404080903442958768.eigenfacs
Openam> file on opening on unit 10:
2404080903442958768.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404080903442958768.atom
Openam> file on opening on unit 11:
2404080903442958768.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 = 741
First residue number = 27
Last residue number = 158
Number of atoms found = 5936
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: 9.9900E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9950E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9958E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 7.3597E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1110
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3005
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8079
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.209
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.434
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.956
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.310
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 3.356
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 3.891
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 4.180
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 4.448
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 5.522
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 5.585
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 6.049
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 6.307
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 7.468
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 7.797
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 8.623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 9.158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 10.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 11.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 11.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 12.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 12.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 13.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 14.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 15.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 15.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 16.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 17.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 17.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 18.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 18.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 19.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 19.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 20.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 21.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 22.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 22.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 23.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 24.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 25.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 26.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 26.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 26.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 27.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 27.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 28.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 29.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 29.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 30.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 30.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 31.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 31.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 31.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 32.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 33.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 34.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 34.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 34.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 35.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 35.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 36.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 37.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 37.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 38.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 38.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 39.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 40.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 40.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 41.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 41.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 41.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 42.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 42.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 42.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 43.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 44.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 44.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 44.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 45.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 45.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 46.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 46.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 46.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 47.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 47.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 48.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 48.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 48.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 48.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 49.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 49.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 50.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 50.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 51.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 51.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 51.47
Bfactors> 106 vectors, 17808 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 : 0.073597
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= 0.802 for 741 C-alpha atoms.
Bfactors> = 0.095 +/- 0.09
Bfactors> = 79.128 +/- 27.90
Bfactors> Shiftng-fct= 79.034
Bfactors> Scaling-fct= 299.955
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404080903442958768 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-80
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-60
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-40
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-20
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=0
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=20
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=40
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=60
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=80
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=100
2404080903442958768.eigenfacs
2404080903442958768.atom
making animated gifs
11 models are in 2404080903442958768.7.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 2404080903442958768.7.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 2404080903442958768.7.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 2404080903442958768 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-80
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-60
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-40
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-20
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=0
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=20
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=40
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=60
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=80
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=100
2404080903442958768.eigenfacs
2404080903442958768.atom
making animated gifs
11 models are in 2404080903442958768.8.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 2404080903442958768.8.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 2404080903442958768.8.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 2404080903442958768 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-80
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-60
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-40
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-20
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=0
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=20
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=40
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=60
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=80
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=100
2404080903442958768.eigenfacs
2404080903442958768.atom
making animated gifs
11 models are in 2404080903442958768.9.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 2404080903442958768.9.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 2404080903442958768.9.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 2404080903442958768 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-80
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-60
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-40
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-20
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=0
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=20
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=40
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=60
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=80
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=100
2404080903442958768.eigenfacs
2404080903442958768.atom
making animated gifs
11 models are in 2404080903442958768.10.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 2404080903442958768.10.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 2404080903442958768.10.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 2404080903442958768 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-80
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-60
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-40
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=-20
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=0
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=20
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=40
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=60
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=80
2404080903442958768.eigenfacs
2404080903442958768.atom
calculating perturbed structure for DQ=100
2404080903442958768.eigenfacs
2404080903442958768.atom
making animated gifs
11 models are in 2404080903442958768.11.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 2404080903442958768.11.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 2404080903442958768.11.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
2404080903442958768.10.pdb
2404080903442958768.11.pdb
2404080903442958768.7.pdb
2404080903442958768.8.pdb
2404080903442958768.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m30.239s
user 0m30.144s
sys 0m0.092s
../../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: 2404080903442958768.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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