*** atp ***
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 = 240504093534310930.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 240504093534310930.atom to be opened.
Openam> File opened: 240504093534310930.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 = 2986
First residue number = 24
Last residue number = 272
Number of atoms found = 22710
Mean number per residue = 7.6
Pdbmat> Coordinate statistics:
= 108.699304 +/- 21.897791 From: 41.781000 To: 166.548000
= 74.374612 +/- 24.919154 From: 15.771000 To: 129.305000
= 74.315383 +/- 24.103418 From: 15.758000 To: 133.708000
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 5.2018 % Filled.
Pdbmat> 9019797 non-zero elements.
Pdbmat> 987218 atom-atom interactions.
Pdbmat> Number per atom= 86.94 +/- 20.97
Maximum number = 135
Minimum number = 8
Pdbmat> Matrix trace = 1.974436E+07
Pdbmat> Larger element = 498.154
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
2986 non-zero elements, NRBL set to 15
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 = 240504093534310930.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 15
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 240504093534310930.atom to be opened.
Openam> file on opening on unit 11:
240504093534310930.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 22710 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 15 residue(s) per block.
Blocpdb> 2986 residues.
Blocpdb> 109 atoms in block 1
Block first atom: 1
Blocpdb> 118 atoms in block 2
Block first atom: 110
Blocpdb> 111 atoms in block 3
Block first atom: 228
Blocpdb> 113 atoms in block 4
Block first atom: 339
Blocpdb> 109 atoms in block 5
Block first atom: 452
Blocpdb> 107 atoms in block 6
Block first atom: 561
Blocpdb> 110 atoms in block 7
Block first atom: 668
Blocpdb> 110 atoms in block 8
Block first atom: 778
Blocpdb> 109 atoms in block 9
Block first atom: 888
Blocpdb> 119 atoms in block 10
Block first atom: 997
Blocpdb> 115 atoms in block 11
Block first atom: 1116
Blocpdb> 128 atoms in block 12
Block first atom: 1231
Blocpdb> 111 atoms in block 13
Block first atom: 1359
Blocpdb> 116 atoms in block 14
Block first atom: 1470
Blocpdb> 109 atoms in block 15
Block first atom: 1586
Blocpdb> 116 atoms in block 16
Block first atom: 1695
Blocpdb> 118 atoms in block 17
Block first atom: 1811
Blocpdb> 123 atoms in block 18
Block first atom: 1929
Blocpdb> 132 atoms in block 19
Block first atom: 2052
Blocpdb> 97 atoms in block 20
Block first atom: 2184
Blocpdb> 110 atoms in block 21
Block first atom: 2281
Blocpdb> 115 atoms in block 22
Block first atom: 2391
Blocpdb> 118 atoms in block 23
Block first atom: 2506
Blocpdb> 105 atoms in block 24
Block first atom: 2624
Blocpdb> 120 atoms in block 25
Block first atom: 2729
Blocpdb> 106 atoms in block 26
Block first atom: 2849
Blocpdb> 120 atoms in block 27
Block first atom: 2955
Blocpdb> 116 atoms in block 28
Block first atom: 3075
Blocpdb> 119 atoms in block 29
Block first atom: 3191
Blocpdb> 122 atoms in block 30
Block first atom: 3310
Blocpdb> 115 atoms in block 31
Block first atom: 3432
Blocpdb> 116 atoms in block 32
Block first atom: 3547
Blocpdb> 53 atoms in block 33
Block first atom: 3663
Blocpdb> 109 atoms in block 34
Block first atom: 3716
Blocpdb> 118 atoms in block 35
Block first atom: 3825
Blocpdb> 111 atoms in block 36
Block first atom: 3943
Blocpdb> 113 atoms in block 37
Block first atom: 4054
Blocpdb> 109 atoms in block 38
Block first atom: 4167
Blocpdb> 107 atoms in block 39
Block first atom: 4276
Blocpdb> 110 atoms in block 40
Block first atom: 4383
Blocpdb> 110 atoms in block 41
Block first atom: 4493
Blocpdb> 109 atoms in block 42
Block first atom: 4603
Blocpdb> 119 atoms in block 43
Block first atom: 4712
Blocpdb> 115 atoms in block 44
Block first atom: 4831
Blocpdb> 128 atoms in block 45
Block first atom: 4946
Blocpdb> 111 atoms in block 46
Block first atom: 5074
Blocpdb> 116 atoms in block 47
Block first atom: 5185
Blocpdb> 109 atoms in block 48
Block first atom: 5301
Blocpdb> 116 atoms in block 49
Block first atom: 5410
Blocpdb> 118 atoms in block 50
Block first atom: 5526
Blocpdb> 123 atoms in block 51
Block first atom: 5644
Blocpdb> 132 atoms in block 52
Block first atom: 5767
Blocpdb> 97 atoms in block 53
Block first atom: 5899
Blocpdb> 110 atoms in block 54
Block first atom: 5996
Blocpdb> 115 atoms in block 55
Block first atom: 6106
Blocpdb> 118 atoms in block 56
Block first atom: 6221
Blocpdb> 105 atoms in block 57
Block first atom: 6339
Blocpdb> 120 atoms in block 58
Block first atom: 6444
Blocpdb> 106 atoms in block 59
Block first atom: 6564
Blocpdb> 120 atoms in block 60
Block first atom: 6670
Blocpdb> 116 atoms in block 61
Block first atom: 6790
Blocpdb> 119 atoms in block 62
Block first atom: 6906
Blocpdb> 122 atoms in block 63
Block first atom: 7025
Blocpdb> 115 atoms in block 64
Block first atom: 7147
Blocpdb> 116 atoms in block 65
Block first atom: 7262
Blocpdb> 53 atoms in block 66
Block first atom: 7378
Blocpdb> 110 atoms in block 67
Block first atom: 7431
Blocpdb> 112 atoms in block 68
Block first atom: 7541
Blocpdb> 109 atoms in block 69
Block first atom: 7653
Blocpdb> 111 atoms in block 70
Block first atom: 7762
Blocpdb> 114 atoms in block 71
Block first atom: 7873
Blocpdb> 111 atoms in block 72
Block first atom: 7987
Blocpdb> 96 atoms in block 73
Block first atom: 8098
Blocpdb> 114 atoms in block 74
Block first atom: 8194
Blocpdb> 116 atoms in block 75
Block first atom: 8308
Blocpdb> 116 atoms in block 76
Block first atom: 8424
Blocpdb> 109 atoms in block 77
Block first atom: 8540
Blocpdb> 127 atoms in block 78
Block first atom: 8649
Blocpdb> 119 atoms in block 79
Block first atom: 8776
Blocpdb> 119 atoms in block 80
Block first atom: 8895
Blocpdb> 100 atoms in block 81
Block first atom: 9014
Blocpdb> 121 atoms in block 82
Block first atom: 9114
Blocpdb> 119 atoms in block 83
Block first atom: 9235
Blocpdb> 125 atoms in block 84
Block first atom: 9354
Blocpdb> 121 atoms in block 85
Block first atom: 9479
Blocpdb> 114 atoms in block 86
Block first atom: 9600
Blocpdb> 102 atoms in block 87
Block first atom: 9714
Blocpdb> 108 atoms in block 88
Block first atom: 9816
Blocpdb> 131 atoms in block 89
Block first atom: 9924
Blocpdb> 97 atoms in block 90
Block first atom: 10055
Blocpdb> 115 atoms in block 91
Block first atom: 10152
Blocpdb> 117 atoms in block 92
Block first atom: 10267
Blocpdb> 114 atoms in block 93
Block first atom: 10384
Blocpdb> 117 atoms in block 94
Block first atom: 10498
Blocpdb> 117 atoms in block 95
Block first atom: 10615
Blocpdb> 124 atoms in block 96
Block first atom: 10732
Blocpdb> 115 atoms in block 97
Block first atom: 10856
Blocpdb> 116 atoms in block 98
Block first atom: 10971
Blocpdb> 92 atoms in block 99
Block first atom: 11087
Blocpdb> 102 atoms in block 100
Block first atom: 11179
Blocpdb> 116 atoms in block 101
Block first atom: 11281
Blocpdb> 122 atoms in block 102
Block first atom: 11397
Blocpdb> 104 atoms in block 103
Block first atom: 11519
Blocpdb> 112 atoms in block 104
Block first atom: 11623
Blocpdb> 111 atoms in block 105
Block first atom: 11735
Blocpdb> 120 atoms in block 106
Block first atom: 11846
Blocpdb> 111 atoms in block 107
Block first atom: 11966
Blocpdb> 116 atoms in block 108
Block first atom: 12077
Blocpdb> 99 atoms in block 109
Block first atom: 12193
Blocpdb> 110 atoms in block 110
Block first atom: 12292
Blocpdb> 102 atoms in block 111
Block first atom: 12402
Blocpdb> 128 atoms in block 112
Block first atom: 12504
Blocpdb> 106 atoms in block 113
Block first atom: 12632
Blocpdb> 112 atoms in block 114
Block first atom: 12738
Blocpdb> 119 atoms in block 115
Block first atom: 12850
Blocpdb> 132 atoms in block 116
Block first atom: 12969
Blocpdb> 99 atoms in block 117
Block first atom: 13101
Blocpdb> 110 atoms in block 118
Block first atom: 13200
Blocpdb> 114 atoms in block 119
Block first atom: 13310
Blocpdb> 107 atoms in block 120
Block first atom: 13424
Blocpdb> 112 atoms in block 121
Block first atom: 13531
Blocpdb> 110 atoms in block 122
Block first atom: 13643
Blocpdb> 119 atoms in block 123
Block first atom: 13753
Blocpdb> 120 atoms in block 124
Block first atom: 13872
Blocpdb> 114 atoms in block 125
Block first atom: 13992
Blocpdb> 129 atoms in block 126
Block first atom: 14106
Blocpdb> 118 atoms in block 127
Block first atom: 14235
Blocpdb> 118 atoms in block 128
Block first atom: 14353
Blocpdb> 125 atoms in block 129
Block first atom: 14471
Blocpdb> 108 atoms in block 130
Block first atom: 14596
Blocpdb> 14 atoms in block 131
Block first atom: 14704
Blocpdb> 102 atoms in block 132
Block first atom: 14718
Blocpdb> 116 atoms in block 133
Block first atom: 14820
Blocpdb> 122 atoms in block 134
Block first atom: 14936
Blocpdb> 104 atoms in block 135
Block first atom: 15058
Blocpdb> 112 atoms in block 136
Block first atom: 15162
Blocpdb> 111 atoms in block 137
Block first atom: 15274
Blocpdb> 120 atoms in block 138
Block first atom: 15385
Blocpdb> 111 atoms in block 139
Block first atom: 15505
Blocpdb> 116 atoms in block 140
Block first atom: 15616
Blocpdb> 99 atoms in block 141
Block first atom: 15732
Blocpdb> 110 atoms in block 142
Block first atom: 15831
Blocpdb> 102 atoms in block 143
Block first atom: 15941
Blocpdb> 128 atoms in block 144
Block first atom: 16043
Blocpdb> 106 atoms in block 145
Block first atom: 16171
Blocpdb> 112 atoms in block 146
Block first atom: 16277
Blocpdb> 119 atoms in block 147
Block first atom: 16389
Blocpdb> 132 atoms in block 148
Block first atom: 16508
Blocpdb> 99 atoms in block 149
Block first atom: 16640
Blocpdb> 110 atoms in block 150
Block first atom: 16739
Blocpdb> 114 atoms in block 151
Block first atom: 16849
Blocpdb> 13 atoms in block 152
Block first atom: 16963
Blocpdb> 107 atoms in block 153
Block first atom: 16976
Blocpdb> 109 atoms in block 154
Block first atom: 17083
Blocpdb> 112 atoms in block 155
Block first atom: 17192
Blocpdb> 115 atoms in block 156
Block first atom: 17304
Blocpdb> 125 atoms in block 157
Block first atom: 17419
Blocpdb> 115 atoms in block 158
Block first atom: 17544
Blocpdb> 126 atoms in block 159
Block first atom: 17659
Blocpdb> 116 atoms in block 160
Block first atom: 17785
Blocpdb> 118 atoms in block 161
Block first atom: 17901
Blocpdb> 123 atoms in block 162
Block first atom: 18019
Blocpdb> 94 atoms in block 163
Block first atom: 18142
Blocpdb> 102 atoms in block 164
Block first atom: 18236
Blocpdb> 116 atoms in block 165
Block first atom: 18338
Blocpdb> 122 atoms in block 166
Block first atom: 18454
Blocpdb> 104 atoms in block 167
Block first atom: 18576
Blocpdb> 112 atoms in block 168
Block first atom: 18680
Blocpdb> 111 atoms in block 169
Block first atom: 18792
Blocpdb> 120 atoms in block 170
Block first atom: 18903
Blocpdb> 111 atoms in block 171
Block first atom: 19023
Blocpdb> 116 atoms in block 172
Block first atom: 19134
Blocpdb> 99 atoms in block 173
Block first atom: 19250
Blocpdb> 110 atoms in block 174
Block first atom: 19349
Blocpdb> 102 atoms in block 175
Block first atom: 19459
Blocpdb> 128 atoms in block 176
Block first atom: 19561
Blocpdb> 106 atoms in block 177
Block first atom: 19689
Blocpdb> 112 atoms in block 178
Block first atom: 19795
Blocpdb> 119 atoms in block 179
Block first atom: 19907
Blocpdb> 132 atoms in block 180
Block first atom: 20026
Blocpdb> 99 atoms in block 181
Block first atom: 20158
Blocpdb> 110 atoms in block 182
Block first atom: 20257
Blocpdb> 114 atoms in block 183
Block first atom: 20367
Blocpdb> 107 atoms in block 184
Block first atom: 20481
Blocpdb> 112 atoms in block 185
Block first atom: 20588
Blocpdb> 110 atoms in block 186
Block first atom: 20700
Blocpdb> 119 atoms in block 187
Block first atom: 20810
Blocpdb> 120 atoms in block 188
Block first atom: 20929
Blocpdb> 114 atoms in block 189
Block first atom: 21049
Blocpdb> 129 atoms in block 190
Block first atom: 21163
Blocpdb> 118 atoms in block 191
Block first atom: 21292
Blocpdb> 118 atoms in block 192
Block first atom: 21410
Blocpdb> 125 atoms in block 193
Block first atom: 21528
Blocpdb> 108 atoms in block 194
Block first atom: 21653
Blocpdb> 5 atoms in block 195
Block first atom: 21761
Blocpdb> 122 atoms in block 196
Block first atom: 21766
Blocpdb> 112 atoms in block 197
Block first atom: 21888
Blocpdb> 121 atoms in block 198
Block first atom: 22000
Blocpdb> 100 atoms in block 199
Block first atom: 22121
Blocpdb> 119 atoms in block 200
Block first atom: 22221
Blocpdb> 112 atoms in block 201
Block first atom: 22340
Blocpdb> 120 atoms in block 202
Block first atom: 22452
Blocpdb> 116 atoms in block 203
Block first atom: 22572
Blocpdb> 23 atoms in block 204
Block first atom: 22687
Blocpdb> 204 blocks.
Blocpdb> At most, 132 atoms in each of them.
Blocpdb> At least, 5 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 9020001 matrix lines read.
Prepmat> Matrix order = 68130
Prepmat> Matrix trace = 19744360.0001
Prepmat> Last element read: 68130 68130 315.6355
Prepmat> 20911 lines saved.
Prepmat> 19179 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: 22710
RTB> Total mass = 22710.0000
RTB> Number of atoms found in matrix: 22710
RTB> Number of blocks = 204
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 194855.8210
RTB> 59256 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 = 1224
Diagstd> Nb of non-zero elements: 59256
Diagstd> Projected matrix trace = 194855.8210
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1224 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 194855.8210
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 0.9353741 1.2176767 1.4235789 1.4929238
1.8085840 2.0788135 2.1989535 2.2624756 2.5637716
2.7840861 2.8635158 3.1794793 3.4846339 3.6854008
3.8069163 4.3030130 4.6512366 4.8218115 4.8931948
5.3372822 5.4675476 5.7926332 5.9717152 6.4439615
6.7352918 6.7822986 7.1342450 7.2214182 7.3683643
7.5156462 7.6568081 7.9459608 8.1785312 8.3861113
8.4912551 8.7946005 8.9328260 9.3555012 9.7072712
10.0485728 10.5682391 10.6621010 10.7904862 10.8592119
11.4288022 11.5768495 11.7721934 11.8919819 12.6176302
12.8831570 13.5835641 13.7725920 13.9817584 14.0202859
14.3921806 14.8258653 14.9769672 15.4387801 15.9295238
16.0788338 16.4470131 16.6236315 16.8806444 17.2133545
17.5167413 17.6787144 18.3197443 18.6834206 18.9243798
19.0484452 19.3135724 19.6331370 19.7945443 20.0469734
20.5518394 21.1744072 21.4017000 21.9123377 22.0614443
22.4088112 22.7835350 22.9081513 23.3776341 23.7911480
23.9073815 24.0963307 24.4685537 24.7918332 25.0678675
25.4993204 25.7935901 25.9771566 26.5676047 26.7419828
27.1389732 27.4288730 27.7245419 27.9388190 27.9869313
28.2170667
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034320 0.0034331 0.0034335 0.0034337 0.0034344
0.0034346 105.0238540 119.8288187 129.5645077 132.6826376
146.0375765 156.5680162 161.0287043 163.3380001 173.8741221
181.1909969 183.7574996 193.6302845 202.7093857 208.4671570
211.8760872 225.2587195 234.1960113 238.4516833 240.2102483
250.8738318 253.9168773 261.3564931 265.3657223 275.6587284
281.8210882 282.8028183 290.0476102 291.8142712 294.7683332
297.6997320 300.4824841 306.1036360 310.5510047 314.4673719
316.4326027 322.0351945 324.5560559 332.1458347 338.3326116
344.2290133 353.0177938 354.5819928 356.7104127 357.8445725
367.1095126 369.4796085 372.5838057 374.4746294 385.7306749
389.7682245 400.2230970 402.9982142 406.0468795 406.6059359
411.9633499 418.1242014 420.2495132 426.6794930 433.4077536
435.4342165 440.3913694 442.7496557 446.1591367 450.5344837
454.4874943 456.5839283 464.7880831 469.3788060 472.3958876
473.9418358 477.2287357 481.1606783 483.1344812 486.2052984
492.2895643 499.6902898 502.3650490 508.3228542 510.0494117
514.0492021 518.3293897 519.7449777 525.0438297 529.6670780
530.9593662 533.0534241 537.1547614 540.6915726 543.6932932
548.3521913 551.5071880 553.4661778 559.7208446 561.5547208
565.7075645 568.7209960 571.7780374 573.9833605 574.4773645
576.8344805
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 22710
Rtb_to_modes> Number of blocs = 204
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: 9.9887E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9952E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9975E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9985E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.9354
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.218
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.424
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.493
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.809
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.079
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.199
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.262
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.564
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.784
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 2.864
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 3.179
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 3.485
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 3.685
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 3.807
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 4.303
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 4.651
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 4.822
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 4.893
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 5.337
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 5.468
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 5.793
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 5.972
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 6.444
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 6.735
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 6.782
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 7.134
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 7.221
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 7.368
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 7.516
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 7.657
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 7.946
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 8.179
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 8.386
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 8.491
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 8.795
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 8.933
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 9.356
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 9.707
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 10.05
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 10.57
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 10.66
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 10.79
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 10.86
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 11.43
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 11.58
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 11.77
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 11.89
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 12.62
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 12.88
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 13.58
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 13.77
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 13.98
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 14.02
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 14.39
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 14.83
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 14.98
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 15.44
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 15.93
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 16.08
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 16.45
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 16.62
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 16.88
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 17.21
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 17.52
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 17.68
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 18.32
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 18.68
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 18.92
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 19.05
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 19.31
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 19.63
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 19.79
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 20.05
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 20.55
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 21.17
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 21.40
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 21.91
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 22.06
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 22.41
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 22.78
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 22.91
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 23.38
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 23.79
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 23.91
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 24.10
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 24.47
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 24.79
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 25.07
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 25.50
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 25.79
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 25.98
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 26.57
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 26.74
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 27.14
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 27.43
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 27.72
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 27.94
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 27.99
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 28.22
Rtb_to_modes> 106 vectors, with 1224 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00001 1.00000 1.00001
1.00000 0.99999 0.99998 0.99999 1.00001
0.99997 1.00003 0.99999 0.99998 1.00000
1.00000 1.00001 0.99999 0.99997 1.00001
1.00000 1.00002 1.00000 0.99999 1.00001
0.99999 1.00001 1.00001 0.99998 1.00001
0.99999 0.99999 1.00001 1.00001 0.99998
1.00001 1.00001 1.00000 0.99999 1.00002
1.00000 1.00000 0.99999 1.00000 1.00003
1.00003 1.00000 0.99999 1.00001 1.00000
1.00001 1.00001 1.00000 1.00001 1.00002
1.00000 1.00003 1.00002 0.99999 0.99999
1.00001 0.99998 1.00000 0.99999 1.00001
1.00001 1.00000 1.00002 0.99999 0.99999
1.00000 1.00000 0.99998 0.99998 1.00000
1.00000 1.00000 1.00000 1.00001 1.00002
1.00001 1.00001 1.00002 0.99997 1.00001
1.00001 1.00001 1.00000 1.00003 1.00000
1.00000 1.00001 1.00000 1.00000 1.00002
1.00001 0.99998 1.00000 1.00000 0.99998
0.99997 0.99999 1.00002 1.00000 1.00002
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 408780 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00001 1.00000 1.00001
1.00000 0.99999 0.99998 0.99999 1.00001
0.99997 1.00003 0.99999 0.99998 1.00000
1.00000 1.00001 0.99999 0.99997 1.00001
1.00000 1.00002 1.00000 0.99999 1.00001
0.99999 1.00001 1.00001 0.99998 1.00001
0.99999 0.99999 1.00001 1.00001 0.99998
1.00001 1.00001 1.00000 0.99999 1.00002
1.00000 1.00000 0.99999 1.00000 1.00003
1.00003 1.00000 0.99999 1.00001 1.00000
1.00001 1.00001 1.00000 1.00001 1.00002
1.00000 1.00003 1.00002 0.99999 0.99999
1.00001 0.99998 1.00000 0.99999 1.00001
1.00001 1.00000 1.00002 0.99999 0.99999
1.00000 1.00000 0.99998 0.99998 1.00000
1.00000 1.00000 1.00000 1.00001 1.00002
1.00001 1.00001 1.00002 0.99997 1.00001
1.00001 1.00001 1.00000 1.00003 1.00000
1.00000 1.00001 1.00000 1.00000 1.00002
1.00001 0.99998 1.00000 1.00000 0.99998
0.99997 0.99999 1.00002 1.00000 1.00002
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> 240504093534310930.eigenfacs
Openam> file on opening on unit 10:
240504093534310930.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240504093534310930.atom
Openam> file on opening on unit 11:
240504093534310930.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 = 2986
First residue number = 24
Last residue number = 272
Number of atoms found = 22710
Mean number per residue = 7.6
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9887E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9952E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9975E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9985E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9354
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.218
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.424
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.493
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.809
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.079
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.199
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.262
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.564
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.784
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.864
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 3.179
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 3.485
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.685
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.807
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 4.303
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 4.651
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 4.822
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 5.337
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 5.468
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 5.793
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 5.972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 6.444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 6.735
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 6.782
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 7.134
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 7.221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 7.368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 7.516
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 7.657
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.946
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 8.179
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 8.386
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 8.491
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 8.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.933
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 9.356
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 9.707
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 10.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 10.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 10.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 10.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 10.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 11.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 11.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 11.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 11.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 12.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 12.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 13.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 13.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 13.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 14.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 14.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 14.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 14.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 15.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 15.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 16.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 16.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 16.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 16.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 17.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 17.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 17.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 18.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 18.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 18.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 19.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 19.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 19.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 19.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 20.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 20.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 21.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 21.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 21.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 22.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 22.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 22.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 22.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 23.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 23.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 23.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 24.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 24.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 24.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 25.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 25.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 25.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 25.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 26.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 26.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 27.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 27.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 27.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 27.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 27.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 28.22
Bfactors> 106 vectors, 68130 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 : 0.935400
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= 0.456 for 2986 C-alpha atoms.
Bfactors> = 0.010 +/- 0.02
Bfactors> = 51.882 +/- 22.07
Bfactors> Shiftng-fct= 51.872
Bfactors> Scaling-fct= 1305.382
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240504093534310930 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=0
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=100
240504093534310930.eigenfacs
240504093534310930.atom
making animated gifs
11 models are in 240504093534310930.7.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 240504093534310930.7.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 240504093534310930.7.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 240504093534310930 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=0
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=100
240504093534310930.eigenfacs
240504093534310930.atom
making animated gifs
11 models are in 240504093534310930.8.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 240504093534310930.8.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 240504093534310930.8.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 240504093534310930 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=0
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=100
240504093534310930.eigenfacs
240504093534310930.atom
making animated gifs
11 models are in 240504093534310930.9.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 240504093534310930.9.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 240504093534310930.9.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 240504093534310930 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=0
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=100
240504093534310930.eigenfacs
240504093534310930.atom
making animated gifs
11 models are in 240504093534310930.10.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 240504093534310930.10.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 240504093534310930.10.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 240504093534310930 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=0
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=100
240504093534310930.eigenfacs
240504093534310930.atom
making animated gifs
11 models are in 240504093534310930.11.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 240504093534310930.11.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 240504093534310930.11.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
getting mode 12
running: ../../bin/get_modes.sh 240504093534310930 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=0
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=100
240504093534310930.eigenfacs
240504093534310930.atom
making animated gifs
11 models are in 240504093534310930.12.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 240504093534310930.12.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 240504093534310930.12.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 13
running: ../../bin/get_modes.sh 240504093534310930 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=0
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=100
240504093534310930.eigenfacs
240504093534310930.atom
making animated gifs
11 models are in 240504093534310930.13.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 240504093534310930.13.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 240504093534310930.13.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 14
running: ../../bin/get_modes.sh 240504093534310930 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=0
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=100
240504093534310930.eigenfacs
240504093534310930.atom
making animated gifs
11 models are in 240504093534310930.14.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 240504093534310930.14.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 240504093534310930.14.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 15
running: ../../bin/get_modes.sh 240504093534310930 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=0
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=100
240504093534310930.eigenfacs
240504093534310930.atom
making animated gifs
11 models are in 240504093534310930.15.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 240504093534310930.15.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 240504093534310930.15.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 16
running: ../../bin/get_modes.sh 240504093534310930 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=-20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=0
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=20
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=40
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=60
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=80
240504093534310930.eigenfacs
240504093534310930.atom
calculating perturbed structure for DQ=100
240504093534310930.eigenfacs
240504093534310930.atom
making animated gifs
11 models are in 240504093534310930.16.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 240504093534310930.16.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 240504093534310930.16.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
240504093534310930.10.pdb
240504093534310930.11.pdb
240504093534310930.12.pdb
240504093534310930.13.pdb
240504093534310930.14.pdb
240504093534310930.15.pdb
240504093534310930.16.pdb
240504093534310930.7.pdb
240504093534310930.8.pdb
240504093534310930.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 3m9.462s
user 3m8.913s
sys 0m0.456s
../../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: 240504093534310930.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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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