*** ***
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 = 240112142738850346.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 240112142738850346.atom to be opened.
Openam> File opened: 240112142738850346.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 = 339
First residue number = 1
Last residue number = 339
Number of atoms found = 5512
Mean number per residue = 16.3
Pdbmat> Coordinate statistics:
= 1.392990 +/- 16.654723 From: -37.237000 To: 47.392000
= 5.991638 +/- 12.930462 From: -24.210000 To: 40.283000
= -7.898370 +/- 19.444349 From: -50.847000 To: 27.850000
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 2.3406 % Filled.
Pdbmat> 3200214 non-zero elements.
Pdbmat> 351958 atom-atom interactions.
Pdbmat> Number per atom= 127.71 +/- 46.76
Maximum number = 244
Minimum number = 19
Pdbmat> Matrix trace = 7.039160E+06
Pdbmat> Larger element = 855.128
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
339 non-zero elements, NRBL set to 2
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 = 240112142738850346.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
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 240112142738850346.atom to be opened.
Openam> file on opening on unit 11:
240112142738850346.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5512 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 339 residues.
Blocpdb> 35 atoms in block 1
Block first atom: 1
Blocpdb> 39 atoms in block 2
Block first atom: 36
Blocpdb> 31 atoms in block 3
Block first atom: 75
Blocpdb> 17 atoms in block 4
Block first atom: 106
Blocpdb> 25 atoms in block 5
Block first atom: 123
Blocpdb> 31 atoms in block 6
Block first atom: 148
Blocpdb> 36 atoms in block 7
Block first atom: 179
Blocpdb> 46 atoms in block 8
Block first atom: 215
Blocpdb> 27 atoms in block 9
Block first atom: 261
Blocpdb> 26 atoms in block 10
Block first atom: 288
Blocpdb> 40 atoms in block 11
Block first atom: 314
Blocpdb> 23 atoms in block 12
Block first atom: 354
Blocpdb> 46 atoms in block 13
Block first atom: 377
Blocpdb> 40 atoms in block 14
Block first atom: 423
Blocpdb> 28 atoms in block 15
Block first atom: 463
Blocpdb> 44 atoms in block 16
Block first atom: 491
Blocpdb> 38 atoms in block 17
Block first atom: 535
Blocpdb> 25 atoms in block 18
Block first atom: 573
Blocpdb> 43 atoms in block 19
Block first atom: 598
Blocpdb> 29 atoms in block 20
Block first atom: 641
Blocpdb> 27 atoms in block 21
Block first atom: 670
Blocpdb> 26 atoms in block 22
Block first atom: 697
Blocpdb> 23 atoms in block 23
Block first atom: 723
Blocpdb> 29 atoms in block 24
Block first atom: 746
Blocpdb> 43 atoms in block 25
Block first atom: 775
Blocpdb> 34 atoms in block 26
Block first atom: 818
Blocpdb> 38 atoms in block 27
Block first atom: 852
Blocpdb> 22 atoms in block 28
Block first atom: 890
Blocpdb> 34 atoms in block 29
Block first atom: 912
Blocpdb> 17 atoms in block 30
Block first atom: 946
Blocpdb> 30 atoms in block 31
Block first atom: 963
Blocpdb> 38 atoms in block 32
Block first atom: 993
Blocpdb> 32 atoms in block 33
Block first atom: 1031
Blocpdb> 27 atoms in block 34
Block first atom: 1063
Blocpdb> 27 atoms in block 35
Block first atom: 1090
Blocpdb> 31 atoms in block 36
Block first atom: 1117
Blocpdb> 36 atoms in block 37
Block first atom: 1148
Blocpdb> 25 atoms in block 38
Block first atom: 1184
Blocpdb> 29 atoms in block 39
Block first atom: 1209
Blocpdb> 26 atoms in block 40
Block first atom: 1238
Blocpdb> 30 atoms in block 41
Block first atom: 1264
Blocpdb> 27 atoms in block 42
Block first atom: 1294
Blocpdb> 32 atoms in block 43
Block first atom: 1321
Blocpdb> 38 atoms in block 44
Block first atom: 1353
Blocpdb> 33 atoms in block 45
Block first atom: 1391
Blocpdb> 41 atoms in block 46
Block first atom: 1424
Blocpdb> 34 atoms in block 47
Block first atom: 1465
Blocpdb> 35 atoms in block 48
Block first atom: 1499
Blocpdb> 35 atoms in block 49
Block first atom: 1534
Blocpdb> 33 atoms in block 50
Block first atom: 1569
Blocpdb> 28 atoms in block 51
Block first atom: 1602
Blocpdb> 40 atoms in block 52
Block first atom: 1630
Blocpdb> 22 atoms in block 53
Block first atom: 1670
Blocpdb> 30 atoms in block 54
Block first atom: 1692
Blocpdb> 27 atoms in block 55
Block first atom: 1722
Blocpdb> 29 atoms in block 56
Block first atom: 1749
Blocpdb> 38 atoms in block 57
Block first atom: 1778
Blocpdb> 40 atoms in block 58
Block first atom: 1816
Blocpdb> 24 atoms in block 59
Block first atom: 1856
Blocpdb> 29 atoms in block 60
Block first atom: 1880
Blocpdb> 38 atoms in block 61
Block first atom: 1909
Blocpdb> 33 atoms in block 62
Block first atom: 1947
Blocpdb> 25 atoms in block 63
Block first atom: 1980
Blocpdb> 31 atoms in block 64
Block first atom: 2005
Blocpdb> 35 atoms in block 65
Block first atom: 2036
Blocpdb> 26 atoms in block 66
Block first atom: 2071
Blocpdb> 27 atoms in block 67
Block first atom: 2097
Blocpdb> 33 atoms in block 68
Block first atom: 2124
Blocpdb> 24 atoms in block 69
Block first atom: 2157
Blocpdb> 33 atoms in block 70
Block first atom: 2181
Blocpdb> 29 atoms in block 71
Block first atom: 2214
Blocpdb> 31 atoms in block 72
Block first atom: 2243
Blocpdb> 31 atoms in block 73
Block first atom: 2274
Blocpdb> 31 atoms in block 74
Block first atom: 2305
Blocpdb> 36 atoms in block 75
Block first atom: 2336
Blocpdb> 41 atoms in block 76
Block first atom: 2372
Blocpdb> 36 atoms in block 77
Block first atom: 2413
Blocpdb> 31 atoms in block 78
Block first atom: 2449
Blocpdb> 38 atoms in block 79
Block first atom: 2480
Blocpdb> 29 atoms in block 80
Block first atom: 2518
Blocpdb> 43 atoms in block 81
Block first atom: 2547
Blocpdb> 36 atoms in block 82
Block first atom: 2590
Blocpdb> 38 atoms in block 83
Block first atom: 2626
Blocpdb> 19 atoms in block 84
Block first atom: 2664
Blocpdb> 32 atoms in block 85
Block first atom: 2683
Blocpdb> 33 atoms in block 86
Block first atom: 2715
Blocpdb> 22 atoms in block 87
Block first atom: 2748
Blocpdb> 27 atoms in block 88
Block first atom: 2770
Blocpdb> 31 atoms in block 89
Block first atom: 2797
Blocpdb> 40 atoms in block 90
Block first atom: 2828
Blocpdb> 30 atoms in block 91
Block first atom: 2868
Blocpdb> 35 atoms in block 92
Block first atom: 2898
Blocpdb> 30 atoms in block 93
Block first atom: 2933
Blocpdb> 31 atoms in block 94
Block first atom: 2963
Blocpdb> 18 atoms in block 95
Block first atom: 2994
Blocpdb> 21 atoms in block 96
Block first atom: 3012
Blocpdb> 29 atoms in block 97
Block first atom: 3033
Blocpdb> 39 atoms in block 98
Block first atom: 3062
Blocpdb> 34 atoms in block 99
Block first atom: 3101
Blocpdb> 39 atoms in block 100
Block first atom: 3135
Blocpdb> 34 atoms in block 101
Block first atom: 3174
Blocpdb> 43 atoms in block 102
Block first atom: 3208
Blocpdb> 28 atoms in block 103
Block first atom: 3251
Blocpdb> 18 atoms in block 104
Block first atom: 3279
Blocpdb> 33 atoms in block 105
Block first atom: 3297
Blocpdb> 36 atoms in block 106
Block first atom: 3330
Blocpdb> 25 atoms in block 107
Block first atom: 3366
Blocpdb> 40 atoms in block 108
Block first atom: 3391
Blocpdb> 25 atoms in block 109
Block first atom: 3431
Blocpdb> 35 atoms in block 110
Block first atom: 3456
Blocpdb> 33 atoms in block 111
Block first atom: 3491
Blocpdb> 31 atoms in block 112
Block first atom: 3524
Blocpdb> 39 atoms in block 113
Block first atom: 3555
Blocpdb> 33 atoms in block 114
Block first atom: 3594
Blocpdb> 39 atoms in block 115
Block first atom: 3627
Blocpdb> 27 atoms in block 116
Block first atom: 3666
Blocpdb> 30 atoms in block 117
Block first atom: 3693
Blocpdb> 22 atoms in block 118
Block first atom: 3723
Blocpdb> 21 atoms in block 119
Block first atom: 3745
Blocpdb> 35 atoms in block 120
Block first atom: 3766
Blocpdb> 29 atoms in block 121
Block first atom: 3801
Blocpdb> 36 atoms in block 122
Block first atom: 3830
Blocpdb> 44 atoms in block 123
Block first atom: 3866
Blocpdb> 28 atoms in block 124
Block first atom: 3910
Blocpdb> 33 atoms in block 125
Block first atom: 3938
Blocpdb> 34 atoms in block 126
Block first atom: 3971
Blocpdb> 37 atoms in block 127
Block first atom: 4005
Blocpdb> 46 atoms in block 128
Block first atom: 4042
Blocpdb> 33 atoms in block 129
Block first atom: 4088
Blocpdb> 33 atoms in block 130
Block first atom: 4121
Blocpdb> 44 atoms in block 131
Block first atom: 4154
Blocpdb> 36 atoms in block 132
Block first atom: 4198
Blocpdb> 29 atoms in block 133
Block first atom: 4234
Blocpdb> 33 atoms in block 134
Block first atom: 4263
Blocpdb> 33 atoms in block 135
Block first atom: 4296
Blocpdb> 30 atoms in block 136
Block first atom: 4329
Blocpdb> 39 atoms in block 137
Block first atom: 4359
Blocpdb> 29 atoms in block 138
Block first atom: 4398
Blocpdb> 34 atoms in block 139
Block first atom: 4427
Blocpdb> 33 atoms in block 140
Block first atom: 4461
Blocpdb> 35 atoms in block 141
Block first atom: 4494
Blocpdb> 35 atoms in block 142
Block first atom: 4529
Blocpdb> 25 atoms in block 143
Block first atom: 4564
Blocpdb> 41 atoms in block 144
Block first atom: 4589
Blocpdb> 34 atoms in block 145
Block first atom: 4630
Blocpdb> 33 atoms in block 146
Block first atom: 4664
Blocpdb> 31 atoms in block 147
Block first atom: 4697
Blocpdb> 38 atoms in block 148
Block first atom: 4728
Blocpdb> 31 atoms in block 149
Block first atom: 4766
Blocpdb> 30 atoms in block 150
Block first atom: 4797
Blocpdb> 36 atoms in block 151
Block first atom: 4827
Blocpdb> 30 atoms in block 152
Block first atom: 4863
Blocpdb> 31 atoms in block 153
Block first atom: 4893
Blocpdb> 43 atoms in block 154
Block first atom: 4924
Blocpdb> 31 atoms in block 155
Block first atom: 4967
Blocpdb> 31 atoms in block 156
Block first atom: 4998
Blocpdb> 41 atoms in block 157
Block first atom: 5029
Blocpdb> 27 atoms in block 158
Block first atom: 5070
Blocpdb> 46 atoms in block 159
Block first atom: 5097
Blocpdb> 36 atoms in block 160
Block first atom: 5143
Blocpdb> 36 atoms in block 161
Block first atom: 5179
Blocpdb> 33 atoms in block 162
Block first atom: 5215
Blocpdb> 37 atoms in block 163
Block first atom: 5248
Blocpdb> 36 atoms in block 164
Block first atom: 5285
Blocpdb> 33 atoms in block 165
Block first atom: 5321
Blocpdb> 31 atoms in block 166
Block first atom: 5354
Blocpdb> 41 atoms in block 167
Block first atom: 5385
Blocpdb> 36 atoms in block 168
Block first atom: 5426
Blocpdb> 30 atoms in block 169
Block first atom: 5462
Blocpdb> 21 atoms in block 170
Block first atom: 5491
Blocpdb> 170 blocks.
Blocpdb> At most, 46 atoms in each of them.
Blocpdb> At least, 17 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> 3200384 matrix lines read.
Prepmat> Matrix order = 16536
Prepmat> Matrix trace = 7039160.0000
Prepmat> Last element read: 16536 16536 181.7378
Prepmat> 14536 lines saved.
Prepmat> 12923 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: 5512
RTB> Total mass = 5512.0000
RTB> Number of atoms found in matrix: 5512
RTB> Number of blocks = 170
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 345579.9248
RTB> 55482 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 = 1020
Diagstd> Nb of non-zero elements: 55482
Diagstd> Projected matrix trace = 345579.9248
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1020 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 345579.9248
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 0.0511358 0.1102503 0.2264419 0.2658286
0.4078691 0.4102385 0.4963990 0.6295695 0.6694235
0.7989030 0.9574473 1.0995373 1.6147765 1.7955189
2.0924996 2.3041424 2.4415399 3.0828198 3.1350273
3.3386074 3.7063735 4.1712004 4.6161713 5.2255560
5.3664650 5.9332768 6.1860331 6.5304068 7.4811970
8.0623592 8.7668453 9.0768618 9.4987216 10.1603852
10.3822098 10.7464079 11.1963474 11.6524470 12.2422394
12.9986429 13.4449553 13.9443276 14.3621020 14.7120709
15.0134486 15.5565449 16.4953302 17.5847741 18.3402383
19.1412896 19.1741426 19.6477184 20.5902287 20.8165062
22.3789295 22.8175117 24.0180068 24.3365582 25.0992661
26.3047873 26.6210306 27.7493711 28.3900402 29.2347230
29.2682783 30.3434841 31.2166523 31.4965565 31.7606486
33.3536217 33.8080962 34.0675605 34.8052671 35.4850345
36.2283503 37.4771040 38.0139196 38.6382091 39.2530850
39.8236924 41.3947109 43.4041063 44.2397950 45.3758570
45.6151729 46.6759060 47.0250716 47.9715422 48.8425915
49.5827819 49.9065897 51.8664860 52.1569719 53.5288936
53.9885819 55.7336706 55.8846349 56.7098669 56.9525699
57.4832141
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034307 0.0034316 0.0034323 0.0034338 0.0034348
0.0034367 24.5560065 36.0566261 51.6741859 55.9881530
69.3514682 69.5526178 76.5086837 86.1622686 88.8476131
97.0604532 106.2558162 113.8676242 137.9912330 145.5091402
157.0825613 164.8351916 169.6786461 190.6642862 192.2719554
198.4165795 209.0594831 221.7817520 233.3115507 248.2341539
251.5587506 264.5102971 270.0855817 277.5015397 297.0166704
308.3375035 321.5266326 327.1622159 334.6785360 346.1388668
349.8969698 355.9811000 363.3569422 370.6840070 379.9493574
391.5112870 398.1758926 405.5029981 411.5326375 416.5164757
420.7610312 428.3037267 441.0377731 455.3692260 465.0479859
475.0954565 475.5029944 481.3393235 492.7491298 495.4492785
513.7063498 518.7157332 532.1863878 535.7039629 544.0336857
556.9454720 560.2833450 572.0340128 578.5998063 587.1441958
587.4810583 598.1746486 606.7201854 609.4341939 611.9838508
627.1432891 631.4015421 633.8197944 640.6454787 646.8713197
653.6113110 664.7805315 669.5247037 675.0000023 680.3496684
685.2768217 698.6629400 715.4193621 722.2737528 731.4888330
733.4152615 741.8936577 744.6634071 752.1199709 758.9176086
764.6465352 767.1392916 782.0575139 784.2444699 794.4917900
797.8959127 810.6886699 811.7858730 817.7576097 819.5056333
823.3145718
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5512
Rtb_to_modes> Number of blocs = 170
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: 9.9813E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9861E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9904E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9988E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0016E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 5.1136E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1103
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.2264
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.2658
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.4079
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.4102
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.4964
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.6296
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.6694
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.7989
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.9574
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 1.100
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 1.615
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 1.796
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 2.092
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 2.304
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 2.442
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 3.083
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 3.135
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 3.339
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 3.706
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 4.171
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 4.616
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 5.226
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 5.366
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 5.933
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 6.186
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 6.530
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 7.481
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 8.062
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 8.767
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 9.077
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 9.499
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 10.16
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 10.38
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 10.75
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 11.20
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 11.65
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 12.24
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 13.00
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 13.44
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 13.94
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 14.36
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 14.71
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 15.01
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 15.56
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 16.50
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 17.58
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 18.34
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 19.14
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 19.17
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 19.65
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 20.59
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 20.82
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 22.38
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 22.82
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 24.02
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 24.34
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 25.10
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 26.30
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 26.62
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 27.75
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 28.39
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 29.23
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 29.27
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 30.34
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 31.22
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 31.50
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 31.76
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 33.35
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 33.81
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 34.07
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 34.81
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 35.49
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 36.23
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 37.48
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 38.01
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 38.64
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 39.25
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 39.82
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 41.39
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 43.40
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 44.24
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 45.38
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 45.62
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 46.68
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 47.03
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 47.97
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 48.84
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 49.58
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 49.91
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 51.87
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 52.16
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 53.53
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 53.99
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 55.73
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 55.88
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 56.71
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 56.95
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 57.48
Rtb_to_modes> 106 vectors, with 1020 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00003 1.00000 1.00000 0.99999 1.00001
1.00000 1.00004 0.99999 1.00000 0.99996
1.00000 1.00000 1.00002 1.00001 1.00003
1.00003 0.99999 1.00004 1.00000 1.00000
0.99999 0.99998 1.00000 0.99997 0.99996
1.00000 1.00002 1.00002 1.00000 1.00000
0.99999 1.00000 1.00001 1.00000 1.00001
0.99999 1.00000 1.00001 1.00001 1.00000
0.99996 1.00002 0.99999 0.99999 0.99999
1.00001 0.99998 1.00000 1.00002 0.99997
1.00002 1.00001 1.00000 1.00000 0.99999
0.99998 0.99999 1.00001 0.99997 1.00003
1.00001 0.99997 0.99999 1.00001 0.99999
0.99999 1.00000 0.99998 1.00001 0.99999
0.99998 1.00001 0.99999 1.00001 1.00000
1.00002 0.99994 1.00000 1.00000 1.00001
0.99999 0.99999 1.00003 1.00000 1.00003
1.00000 0.99998 0.99997 0.99997 0.99999
0.99999 0.99998 1.00003 1.00001 0.99999
1.00001 0.99997 0.99998 0.99999 1.00000
1.00002 0.99994 1.00001 0.99999 1.00003
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 99216 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00003 1.00000 1.00000 0.99999 1.00001
1.00000 1.00004 0.99999 1.00000 0.99996
1.00000 1.00000 1.00002 1.00001 1.00003
1.00003 0.99999 1.00004 1.00000 1.00000
0.99999 0.99998 1.00000 0.99997 0.99996
1.00000 1.00002 1.00002 1.00000 1.00000
0.99999 1.00000 1.00001 1.00000 1.00001
0.99999 1.00000 1.00001 1.00001 1.00000
0.99996 1.00002 0.99999 0.99999 0.99999
1.00001 0.99998 1.00000 1.00002 0.99997
1.00002 1.00001 1.00000 1.00000 0.99999
0.99998 0.99999 1.00001 0.99997 1.00003
1.00001 0.99997 0.99999 1.00001 0.99999
0.99999 1.00000 0.99998 1.00001 0.99999
0.99998 1.00001 0.99999 1.00001 1.00000
1.00002 0.99994 1.00000 1.00000 1.00001
0.99999 0.99999 1.00003 1.00000 1.00003
1.00000 0.99998 0.99997 0.99997 0.99999
0.99999 0.99998 1.00003 1.00001 0.99999
1.00001 0.99997 0.99998 0.99999 1.00000
1.00002 0.99994 1.00001 0.99999 1.00003
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> 240112142738850346.eigenfacs
Openam> file on opening on unit 10:
240112142738850346.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240112142738850346.atom
Openam> file on opening on unit 11:
240112142738850346.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 = 339
First residue number = 1
Last residue number = 339
Number of atoms found = 5512
Mean number per residue = 16.3
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9813E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9861E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9904E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9988E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0016E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 5.1136E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2264
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2658
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4079
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4102
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4964
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6296
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6694
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7989
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.100
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 1.615
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 1.796
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.092
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.304
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.442
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.083
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.135
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.339
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 3.706
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.171
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.616
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.226
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.933
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 6.186
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.530
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 7.481
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 8.062
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 8.767
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 9.077
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 9.499
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 10.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 10.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 10.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 11.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 11.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 12.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 13.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 13.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 13.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 14.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 14.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 15.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 15.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 16.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 17.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 18.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 19.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 19.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 19.65
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: 20.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 22.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 22.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 24.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 24.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 25.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 26.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 26.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 27.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 28.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 29.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 29.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 30.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 31.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 31.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 31.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 33.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 33.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 34.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 34.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 35.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 36.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 37.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 38.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 38.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 39.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 39.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 41.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 43.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 44.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 45.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 45.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 46.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 47.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 47.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 48.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 49.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 49.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 51.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 52.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 53.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 53.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 55.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 55.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 56.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 56.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 57.48
Bfactors> 106 vectors, 16536 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 : 0.051136
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
%Bfactors-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.141 +/- 0.52
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.141
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240112142738850346 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=0
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=100
240112142738850346.eigenfacs
240112142738850346.atom
making animated gifs
11 models are in 240112142738850346.7.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 240112142738850346.7.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 240112142738850346.7.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 240112142738850346 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=0
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=100
240112142738850346.eigenfacs
240112142738850346.atom
making animated gifs
11 models are in 240112142738850346.8.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 240112142738850346.8.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 240112142738850346.8.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 240112142738850346 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=0
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=100
240112142738850346.eigenfacs
240112142738850346.atom
making animated gifs
11 models are in 240112142738850346.9.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 240112142738850346.9.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 240112142738850346.9.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 240112142738850346 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=0
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=100
240112142738850346.eigenfacs
240112142738850346.atom
making animated gifs
11 models are in 240112142738850346.10.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 240112142738850346.10.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 240112142738850346.10.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 240112142738850346 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=0
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=100
240112142738850346.eigenfacs
240112142738850346.atom
making animated gifs
11 models are in 240112142738850346.11.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 240112142738850346.11.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 240112142738850346.11.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 240112142738850346 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=0
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=100
240112142738850346.eigenfacs
240112142738850346.atom
making animated gifs
11 models are in 240112142738850346.12.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 240112142738850346.12.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 240112142738850346.12.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 240112142738850346 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=0
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=100
240112142738850346.eigenfacs
240112142738850346.atom
making animated gifs
11 models are in 240112142738850346.13.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 240112142738850346.13.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 240112142738850346.13.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 240112142738850346 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=0
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=100
240112142738850346.eigenfacs
240112142738850346.atom
making animated gifs
11 models are in 240112142738850346.14.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 240112142738850346.14.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 240112142738850346.14.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 240112142738850346 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=0
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=100
240112142738850346.eigenfacs
240112142738850346.atom
making animated gifs
11 models are in 240112142738850346.15.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 240112142738850346.15.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 240112142738850346.15.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 240112142738850346 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=-20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=0
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=20
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=40
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=60
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=80
240112142738850346.eigenfacs
240112142738850346.atom
calculating perturbed structure for DQ=100
240112142738850346.eigenfacs
240112142738850346.atom
making animated gifs
11 models are in 240112142738850346.16.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 240112142738850346.16.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 240112142738850346.16.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
240112142738850346.10.pdb
240112142738850346.11.pdb
240112142738850346.12.pdb
240112142738850346.13.pdb
240112142738850346.14.pdb
240112142738850346.15.pdb
240112142738850346.16.pdb
240112142738850346.7.pdb
240112142738850346.8.pdb
240112142738850346.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m25.669s
user 0m25.537s
sys 0m0.132s
../../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: 240112142738850346.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
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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