*** bec_luci ***
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 = 2403312005591711918.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 2403312005591711918.atom to be opened.
Openam> File opened: 2403312005591711918.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 = 795
First residue number = 253
Last residue number = 384
Number of atoms found = 6554
Mean number per residue = 8.2
Pdbmat> Coordinate statistics:
= 1.622744 +/- 14.514751 From: -31.229000 To: 46.665000
= -4.012804 +/- 16.319468 From: -42.333000 To: 33.467000
= 51.625766 +/- 29.828982 From: -14.845000 To: 105.845000
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 1.3085 % Filled.
Pdbmat> 2529422 non-zero elements.
Pdbmat> 276722 atom-atom interactions.
Pdbmat> Number per atom= 84.44 +/- 25.38
Maximum number = 142
Minimum number = 11
Pdbmat> Matrix trace = 5.534440E+06
Pdbmat> Larger element = 509.081
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
795 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 = 2403312005591711918.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 2403312005591711918.atom to be opened.
Openam> file on opening on unit 11:
2403312005591711918.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 6554 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> 795 residues.
Blocpdb> 29 atoms in block 1
Block first atom: 1
Blocpdb> 44 atoms in block 2
Block first atom: 30
Blocpdb> 38 atoms in block 3
Block first atom: 74
Blocpdb> 30 atoms in block 4
Block first atom: 112
Blocpdb> 38 atoms in block 5
Block first atom: 142
Blocpdb> 34 atoms in block 6
Block first atom: 180
Blocpdb> 38 atoms in block 7
Block first atom: 214
Blocpdb> 26 atoms in block 8
Block first atom: 252
Blocpdb> 29 atoms in block 9
Block first atom: 278
Blocpdb> 35 atoms in block 10
Block first atom: 307
Blocpdb> 30 atoms in block 11
Block first atom: 342
Blocpdb> 38 atoms in block 12
Block first atom: 372
Blocpdb> 36 atoms in block 13
Block first atom: 410
Blocpdb> 29 atoms in block 14
Block first atom: 446
Blocpdb> 36 atoms in block 15
Block first atom: 475
Blocpdb> 40 atoms in block 16
Block first atom: 511
Blocpdb> 26 atoms in block 17
Block first atom: 551
Blocpdb> 39 atoms in block 18
Block first atom: 577
Blocpdb> 34 atoms in block 19
Block first atom: 616
Blocpdb> 33 atoms in block 20
Block first atom: 650
Blocpdb> 29 atoms in block 21
Block first atom: 683
Blocpdb> 33 atoms in block 22
Block first atom: 712
Blocpdb> 43 atoms in block 23
Block first atom: 745
Blocpdb> 31 atoms in block 24
Block first atom: 788
Blocpdb> 27 atoms in block 25
Block first atom: 819
Blocpdb> 32 atoms in block 26
Block first atom: 846
Blocpdb> 31 atoms in block 27
Block first atom: 878
Blocpdb> 30 atoms in block 28
Block first atom: 909
Blocpdb> 33 atoms in block 29
Block first atom: 939
Blocpdb> 27 atoms in block 30
Block first atom: 972
Blocpdb> 42 atoms in block 31
Block first atom: 999
Blocpdb> 30 atoms in block 32
Block first atom: 1041
Blocpdb> 22 atoms in block 33
Block first atom: 1071
Blocpdb> 29 atoms in block 34
Block first atom: 1093
Blocpdb> 44 atoms in block 35
Block first atom: 1122
Blocpdb> 38 atoms in block 36
Block first atom: 1166
Blocpdb> 30 atoms in block 37
Block first atom: 1204
Blocpdb> 38 atoms in block 38
Block first atom: 1234
Blocpdb> 34 atoms in block 39
Block first atom: 1272
Blocpdb> 38 atoms in block 40
Block first atom: 1306
Blocpdb> 26 atoms in block 41
Block first atom: 1344
Blocpdb> 29 atoms in block 42
Block first atom: 1370
Blocpdb> 35 atoms in block 43
Block first atom: 1399
Blocpdb> 30 atoms in block 44
Block first atom: 1434
Blocpdb> 38 atoms in block 45
Block first atom: 1464
Blocpdb> 36 atoms in block 46
Block first atom: 1502
Blocpdb> 29 atoms in block 47
Block first atom: 1538
Blocpdb> 36 atoms in block 48
Block first atom: 1567
Blocpdb> 40 atoms in block 49
Block first atom: 1603
Blocpdb> 26 atoms in block 50
Block first atom: 1643
Blocpdb> 39 atoms in block 51
Block first atom: 1669
Blocpdb> 34 atoms in block 52
Block first atom: 1708
Blocpdb> 33 atoms in block 53
Block first atom: 1742
Blocpdb> 29 atoms in block 54
Block first atom: 1775
Blocpdb> 33 atoms in block 55
Block first atom: 1804
Blocpdb> 43 atoms in block 56
Block first atom: 1837
Blocpdb> 31 atoms in block 57
Block first atom: 1880
Blocpdb> 27 atoms in block 58
Block first atom: 1911
Blocpdb> 32 atoms in block 59
Block first atom: 1938
Blocpdb> 31 atoms in block 60
Block first atom: 1970
Blocpdb> 30 atoms in block 61
Block first atom: 2001
Blocpdb> 33 atoms in block 62
Block first atom: 2031
Blocpdb> 27 atoms in block 63
Block first atom: 2064
Blocpdb> 42 atoms in block 64
Block first atom: 2091
Blocpdb> 30 atoms in block 65
Block first atom: 2133
Blocpdb> 22 atoms in block 66
Block first atom: 2163
Blocpdb> 31 atoms in block 67
Block first atom: 2185
Blocpdb> 36 atoms in block 68
Block first atom: 2216
Blocpdb> 43 atoms in block 69
Block first atom: 2252
Blocpdb> 27 atoms in block 70
Block first atom: 2295
Blocpdb> 37 atoms in block 71
Block first atom: 2322
Blocpdb> 39 atoms in block 72
Block first atom: 2359
Blocpdb> 40 atoms in block 73
Block first atom: 2398
Blocpdb> 26 atoms in block 74
Block first atom: 2438
Blocpdb> 31 atoms in block 75
Block first atom: 2464
Blocpdb> 26 atoms in block 76
Block first atom: 2495
Blocpdb> 31 atoms in block 77
Block first atom: 2521
Blocpdb> 35 atoms in block 78
Block first atom: 2552
Blocpdb> 36 atoms in block 79
Block first atom: 2587
Blocpdb> 32 atoms in block 80
Block first atom: 2623
Blocpdb> 31 atoms in block 81
Block first atom: 2655
Blocpdb> 43 atoms in block 82
Block first atom: 2686
Blocpdb> 26 atoms in block 83
Block first atom: 2729
Blocpdb> 38 atoms in block 84
Block first atom: 2755
Blocpdb> 34 atoms in block 85
Block first atom: 2793
Blocpdb> 38 atoms in block 86
Block first atom: 2827
Blocpdb> 25 atoms in block 87
Block first atom: 2865
Blocpdb> 32 atoms in block 88
Block first atom: 2890
Blocpdb> 44 atoms in block 89
Block first atom: 2922
Blocpdb> 32 atoms in block 90
Block first atom: 2966
Blocpdb> 30 atoms in block 91
Block first atom: 2998
Blocpdb> 30 atoms in block 92
Block first atom: 3028
Blocpdb> 31 atoms in block 93
Block first atom: 3058
Blocpdb> 22 atoms in block 94
Block first atom: 3089
Blocpdb> 38 atoms in block 95
Block first atom: 3111
Blocpdb> 31 atoms in block 96
Block first atom: 3149
Blocpdb> 39 atoms in block 97
Block first atom: 3180
Blocpdb> 32 atoms in block 98
Block first atom: 3219
Blocpdb> 22 atoms in block 99
Block first atom: 3251
Blocpdb> 6 atoms in block 100
Block first atom: 3273
Blocpdb> 31 atoms in block 101
Block first atom: 3279
Blocpdb> 36 atoms in block 102
Block first atom: 3310
Blocpdb> 43 atoms in block 103
Block first atom: 3346
Blocpdb> 27 atoms in block 104
Block first atom: 3389
Blocpdb> 37 atoms in block 105
Block first atom: 3416
Blocpdb> 39 atoms in block 106
Block first atom: 3453
Blocpdb> 40 atoms in block 107
Block first atom: 3492
Blocpdb> 26 atoms in block 108
Block first atom: 3532
Blocpdb> 31 atoms in block 109
Block first atom: 3558
Blocpdb> 26 atoms in block 110
Block first atom: 3589
Blocpdb> 31 atoms in block 111
Block first atom: 3615
Blocpdb> 35 atoms in block 112
Block first atom: 3646
Blocpdb> 41 atoms in block 113
Block first atom: 3681
Blocpdb> 32 atoms in block 114
Block first atom: 3722
Blocpdb> 36 atoms in block 115
Block first atom: 3754
Blocpdb> 43 atoms in block 116
Block first atom: 3790
Blocpdb> 26 atoms in block 117
Block first atom: 3833
Blocpdb> 38 atoms in block 118
Block first atom: 3859
Blocpdb> 34 atoms in block 119
Block first atom: 3897
Blocpdb> 38 atoms in block 120
Block first atom: 3931
Blocpdb> 25 atoms in block 121
Block first atom: 3969
Blocpdb> 32 atoms in block 122
Block first atom: 3994
Blocpdb> 44 atoms in block 123
Block first atom: 4026
Blocpdb> 32 atoms in block 124
Block first atom: 4070
Blocpdb> 30 atoms in block 125
Block first atom: 4102
Blocpdb> 30 atoms in block 126
Block first atom: 4132
Blocpdb> 31 atoms in block 127
Block first atom: 4162
Blocpdb> 22 atoms in block 128
Block first atom: 4193
Blocpdb> 38 atoms in block 129
Block first atom: 4215
Blocpdb> 31 atoms in block 130
Block first atom: 4253
Blocpdb> 39 atoms in block 131
Block first atom: 4284
Blocpdb> 32 atoms in block 132
Block first atom: 4323
Blocpdb> 22 atoms in block 133
Block first atom: 4355
Blocpdb> 6 atoms in block 134
Block first atom: 4377
Blocpdb> 31 atoms in block 135
Block first atom: 4383
Blocpdb> 36 atoms in block 136
Block first atom: 4414
Blocpdb> 43 atoms in block 137
Block first atom: 4450
Blocpdb> 27 atoms in block 138
Block first atom: 4493
Blocpdb> 37 atoms in block 139
Block first atom: 4520
Blocpdb> 34 atoms in block 140
Block first atom: 4557
Blocpdb> 40 atoms in block 141
Block first atom: 4591
Blocpdb> 26 atoms in block 142
Block first atom: 4631
Blocpdb> 31 atoms in block 143
Block first atom: 4657
Blocpdb> 26 atoms in block 144
Block first atom: 4688
Blocpdb> 31 atoms in block 145
Block first atom: 4714
Blocpdb> 35 atoms in block 146
Block first atom: 4745
Blocpdb> 36 atoms in block 147
Block first atom: 4780
Blocpdb> 32 atoms in block 148
Block first atom: 4816
Blocpdb> 31 atoms in block 149
Block first atom: 4848
Blocpdb> 43 atoms in block 150
Block first atom: 4879
Blocpdb> 26 atoms in block 151
Block first atom: 4922
Blocpdb> 33 atoms in block 152
Block first atom: 4948
Blocpdb> 34 atoms in block 153
Block first atom: 4981
Blocpdb> 38 atoms in block 154
Block first atom: 5015
Blocpdb> 25 atoms in block 155
Block first atom: 5053
Blocpdb> 32 atoms in block 156
Block first atom: 5078
Blocpdb> 44 atoms in block 157
Block first atom: 5110
Blocpdb> 32 atoms in block 158
Block first atom: 5154
Blocpdb> 30 atoms in block 159
Block first atom: 5186
Blocpdb> 30 atoms in block 160
Block first atom: 5216
Blocpdb> 31 atoms in block 161
Block first atom: 5246
Blocpdb> 22 atoms in block 162
Block first atom: 5277
Blocpdb> 38 atoms in block 163
Block first atom: 5299
Blocpdb> 31 atoms in block 164
Block first atom: 5337
Blocpdb> 39 atoms in block 165
Block first atom: 5368
Blocpdb> 32 atoms in block 166
Block first atom: 5407
Blocpdb> 22 atoms in block 167
Block first atom: 5439
Blocpdb> 6 atoms in block 168
Block first atom: 5461
Blocpdb> 29 atoms in block 169
Block first atom: 5467
Blocpdb> 44 atoms in block 170
Block first atom: 5496
Blocpdb> 38 atoms in block 171
Block first atom: 5540
Blocpdb> 30 atoms in block 172
Block first atom: 5578
Blocpdb> 38 atoms in block 173
Block first atom: 5608
Blocpdb> 34 atoms in block 174
Block first atom: 5646
Blocpdb> 45 atoms in block 175
Block first atom: 5680
Blocpdb> 26 atoms in block 176
Block first atom: 5725
Blocpdb> 29 atoms in block 177
Block first atom: 5751
Blocpdb> 29 atoms in block 178
Block first atom: 5780
Blocpdb> 30 atoms in block 179
Block first atom: 5809
Blocpdb> 38 atoms in block 180
Block first atom: 5839
Blocpdb> 36 atoms in block 181
Block first atom: 5877
Blocpdb> 29 atoms in block 182
Block first atom: 5913
Blocpdb> 36 atoms in block 183
Block first atom: 5942
Blocpdb> 40 atoms in block 184
Block first atom: 5978
Blocpdb> 26 atoms in block 185
Block first atom: 6018
Blocpdb> 34 atoms in block 186
Block first atom: 6044
Blocpdb> 34 atoms in block 187
Block first atom: 6078
Blocpdb> 33 atoms in block 188
Block first atom: 6112
Blocpdb> 29 atoms in block 189
Block first atom: 6145
Blocpdb> 33 atoms in block 190
Block first atom: 6174
Blocpdb> 43 atoms in block 191
Block first atom: 6207
Blocpdb> 31 atoms in block 192
Block first atom: 6250
Blocpdb> 27 atoms in block 193
Block first atom: 6281
Blocpdb> 32 atoms in block 194
Block first atom: 6308
Blocpdb> 31 atoms in block 195
Block first atom: 6340
Blocpdb> 30 atoms in block 196
Block first atom: 6371
Blocpdb> 33 atoms in block 197
Block first atom: 6401
Blocpdb> 27 atoms in block 198
Block first atom: 6434
Blocpdb> 42 atoms in block 199
Block first atom: 6461
Blocpdb> 30 atoms in block 200
Block first atom: 6503
Blocpdb> 22 atoms in block 201
Block first atom: 6532
Blocpdb> 201 blocks.
Blocpdb> At most, 45 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> 2529623 matrix lines read.
Prepmat> Matrix order = 19662
Prepmat> Matrix trace = 5534440.0000
Prepmat> Last element read: 19662 19662 73.7129
Prepmat> 20302 lines saved.
Prepmat> 18542 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: 6554
RTB> Total mass = 6554.0000
RTB> Number of atoms found in matrix: 6554
RTB> Number of blocks = 201
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 247128.6556
RTB> 60309 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 = 1206
Diagstd> Nb of non-zero elements: 60309
Diagstd> Projected matrix trace = 247128.6556
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1206 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 247128.6556
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 0.0530626 0.1528305 0.1782911 0.4042967
0.5143883 0.7146022 0.8135246 1.2159597 1.6533496
1.7236373 1.9378183 2.2016340 2.3229106 2.6675971
3.0064265 3.1924467 3.2660545 4.1027199 4.4189765
4.9253183 5.0172668 6.0167447 6.4716190 6.7127555
7.1551593 7.7664001 8.0104309 8.1877896 8.4769005
8.5659855 8.7904737 8.9806464 9.2631741 9.5131877
9.9224823 10.3576703 10.7361750 10.9109521 11.3430676
11.5409884 12.5814436 12.8174354 13.2797918 14.7023166
16.0945901 16.3926388 16.9659053 17.8664805 18.5649678
18.5930478 18.8327976 19.3330077 20.5934982 20.7834716
21.4315165 21.5963609 21.6162170 21.8582244 22.3237313
22.8099561 23.0929592 23.7254375 25.0320541 25.1310364
25.2056563 25.5361405 25.5997997 26.0486703 26.5827412
26.9448299 27.4883963 27.8926720 28.0930588 28.6322088
28.9772893 30.3118640 30.9249874 31.1889699 31.3708270
32.1962315 32.2235550 32.4914042 32.7369509 33.1638909
33.2211435 33.3903009 34.2340640 34.3577971 35.2224128
35.4213137 36.1985365 36.4373620 36.7090876 37.1022925
37.8269771 38.2682464 38.5179844 39.1591856 39.2770253
39.3850863
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034320 0.0034331 0.0034334 0.0034337 0.0034340
0.0034348 25.0143618 42.4522056 45.8521954 69.0470878
77.8826710 91.7967785 97.9446287 119.7443077 139.6296433
142.5667401 151.1651941 161.1268217 165.5051566 177.3598841
188.2871026 194.0247376 196.2487926 219.9536695 228.2738297
240.9974408 243.2365742 266.3643335 276.2496603 281.3492071
290.4724398 302.6252491 307.3429251 310.7267311 316.1650225
317.8219941 321.9596299 325.4236246 330.5028378 334.9332875
342.0624849 349.4832140 355.8115740 358.6960585 365.7299624
368.9069035 385.1771518 388.7727795 395.7226543 416.3783741
435.6475141 439.6627941 447.2844492 459.0022188 467.8885103
468.2422228 471.2514507 477.4687933 492.7882494 495.0559978
502.7148702 504.6445281 504.8764644 507.6948060 513.0724237
518.6298455 521.8372472 528.9351094 543.3047784 544.3778921
545.1854853 548.7479482 549.4315112 554.2274852 559.8802684
563.6804899 569.3377521 573.5091350 575.5655532 581.0623106
584.5533567 597.8628973 603.8791649 606.4511106 608.2165933
616.1661005 616.4275012 618.9841389 621.3186553 625.3570057
625.8965663 627.4880313 635.3667878 636.5139634 644.4731546
646.2902625 653.3423138 655.4940345 657.9336140 661.4479163
667.8764015 671.7606514 673.9490365 679.5354311 680.5571084
681.4926577
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 6554
Rtb_to_modes> Number of blocs = 201
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: 9.9966E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9984E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 5.3063E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1528
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.1783
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.4043
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.5144
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.7146
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.8135
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.216
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 1.653
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.724
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.938
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 2.202
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 2.323
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 2.668
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 3.006
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 3.192
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 3.266
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 4.103
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 4.419
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 4.925
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 5.017
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 6.017
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 6.472
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 6.713
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 7.155
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 7.766
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 8.010
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 8.188
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 8.477
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 8.566
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 8.790
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 8.981
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 9.263
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 9.513
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 9.922
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 10.36
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 10.74
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 10.91
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 11.34
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 11.54
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 12.58
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 12.82
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 13.28
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 14.70
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 16.09
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 16.39
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 16.97
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 17.87
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 18.56
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 18.59
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 18.83
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 19.33
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 20.59
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 20.78
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 21.43
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 21.60
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 21.62
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 21.86
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 22.32
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 22.81
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 23.09
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 23.73
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 25.03
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 25.13
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 25.21
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 25.54
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 25.60
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 26.05
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 26.58
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 26.94
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 27.49
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 27.89
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 28.09
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 28.63
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 28.98
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 30.31
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 30.92
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 31.19
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 31.37
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 32.20
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 32.22
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 32.49
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 32.74
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 33.16
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 33.22
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 33.39
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 34.23
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 34.36
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 35.22
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 35.42
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 36.20
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 36.44
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 36.71
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 37.10
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 37.83
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 38.27
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 38.52
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 39.16
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 39.28
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 39.39
Rtb_to_modes> 106 vectors, with 1206 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
0.99999 1.00002 1.00000 1.00001 0.99999
0.99999 0.99999 0.99997 1.00000 0.99999
1.00000 1.00001 0.99999 1.00001 1.00002
0.99998 1.00000 1.00000 1.00000 1.00001
1.00002 0.99998 1.00002 1.00000 1.00001
1.00000 1.00001 0.99999 0.99998 0.99996
0.99998 1.00000 0.99997 1.00000 0.99998
0.99999 0.99999 0.99996 0.99999 1.00001
0.99999 1.00000 0.99998 1.00002 0.99995
0.99999 1.00003 1.00001 0.99998 0.99997
1.00001 1.00000 0.99998 0.99999 1.00000
0.99998 1.00001 0.99999 0.99998 1.00003
1.00001 1.00002 1.00001 1.00001 0.99999
0.99999 1.00002 1.00000 0.99998 0.99999
1.00000 1.00001 1.00000 0.99999 0.99999
0.99995 1.00001 1.00001 1.00001 0.99999
0.99998 1.00000 1.00000 1.00003 1.00001
1.00003 0.99999 1.00001 1.00003 0.99999
1.00001 0.99999 1.00004 1.00001 1.00002
0.99997 0.99997 1.00000 0.99999 1.00000
1.00004
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 117972 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
0.99999 1.00002 1.00000 1.00001 0.99999
0.99999 0.99999 0.99997 1.00000 0.99999
1.00000 1.00001 0.99999 1.00001 1.00002
0.99998 1.00000 1.00000 1.00000 1.00001
1.00002 0.99998 1.00002 1.00000 1.00001
1.00000 1.00001 0.99999 0.99998 0.99996
0.99998 1.00000 0.99997 1.00000 0.99998
0.99999 0.99999 0.99996 0.99999 1.00001
0.99999 1.00000 0.99998 1.00002 0.99995
0.99999 1.00003 1.00001 0.99998 0.99997
1.00001 1.00000 0.99998 0.99999 1.00000
0.99998 1.00001 0.99999 0.99998 1.00003
1.00001 1.00002 1.00001 1.00001 0.99999
0.99999 1.00002 1.00000 0.99998 0.99999
1.00000 1.00001 1.00000 0.99999 0.99999
0.99995 1.00001 1.00001 1.00001 0.99999
0.99998 1.00000 1.00000 1.00003 1.00001
1.00003 0.99999 1.00001 1.00003 0.99999
1.00001 0.99999 1.00004 1.00001 1.00002
0.99997 0.99997 1.00000 0.99999 1.00000
1.00004
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> 2403312005591711918.eigenfacs
Openam> file on opening on unit 10:
2403312005591711918.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403312005591711918.atom
Openam> file on opening on unit 11:
2403312005591711918.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 = 795
First residue number = 253
Last residue number = 384
Number of atoms found = 6554
Mean number per residue = 8.2
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: 9.9966E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9984E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 5.3063E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1528
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1783
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4043
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8135
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.216
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.653
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.724
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.938
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.202
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.323
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.668
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.006
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.192
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.266
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 4.103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.925
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 5.017
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 6.017
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 6.472
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 6.713
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 7.155
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 7.766
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 8.010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 8.188
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 8.477
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 8.566
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 8.790
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 8.981
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 9.263
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 9.513
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 9.922
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 10.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 10.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 10.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 11.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 11.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 12.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 12.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 13.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 14.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 16.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 16.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 16.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 17.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 18.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 18.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 18.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 19.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 20.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 20.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 21.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 21.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 21.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 21.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 22.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 22.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 23.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 23.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 25.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 25.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 25.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 25.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 25.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 26.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 26.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 26.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 27.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 27.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 28.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 28.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 28.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 30.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 30.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 31.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 31.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 32.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 32.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 32.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 32.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 33.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 33.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 33.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 34.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 34.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 35.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 35.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 36.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 36.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 36.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 37.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 37.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 38.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 38.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 39.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 39.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 39.39
Bfactors> 106 vectors, 19662 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 : 0.053063
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= 0.674 for 815 C-alpha atoms.
Bfactors> = 0.114 +/- 0.10
Bfactors> = 32.833 +/- 9.21
Bfactors> Shiftng-fct= 32.719
Bfactors> Scaling-fct= 92.695
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403312005591711918 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-80
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-60
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-40
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-20
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=0
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=20
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=40
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=60
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=80
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=100
2403312005591711918.eigenfacs
2403312005591711918.atom
making animated gifs
11 models are in 2403312005591711918.7.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 2403312005591711918.7.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 2403312005591711918.7.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 2403312005591711918 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-80
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-60
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-40
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-20
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=0
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=20
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=40
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=60
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=80
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=100
2403312005591711918.eigenfacs
2403312005591711918.atom
making animated gifs
11 models are in 2403312005591711918.8.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 2403312005591711918.8.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 2403312005591711918.8.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 2403312005591711918 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-80
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-60
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-40
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-20
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=0
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=20
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=40
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=60
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=80
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=100
2403312005591711918.eigenfacs
2403312005591711918.atom
making animated gifs
11 models are in 2403312005591711918.9.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 2403312005591711918.9.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 2403312005591711918.9.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 2403312005591711918 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-80
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-60
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-40
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-20
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=0
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=20
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=40
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=60
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=80
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=100
2403312005591711918.eigenfacs
2403312005591711918.atom
making animated gifs
11 models are in 2403312005591711918.10.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 2403312005591711918.10.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 2403312005591711918.10.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 2403312005591711918 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-80
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-60
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-40
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=-20
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=0
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=20
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=40
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=60
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=80
2403312005591711918.eigenfacs
2403312005591711918.atom
calculating perturbed structure for DQ=100
2403312005591711918.eigenfacs
2403312005591711918.atom
making animated gifs
11 models are in 2403312005591711918.11.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 2403312005591711918.11.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 2403312005591711918.11.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
2403312005591711918.10.pdb
2403312005591711918.11.pdb
2403312005591711918.7.pdb
2403312005591711918.8.pdb
2403312005591711918.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m37.665s
user 0m37.558s
sys 0m0.104s
../../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: 2403312005591711918.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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