***  g393s  ***
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 = 2401190754511809012.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 2401190754511809012.atom to be opened.
Openam> File opened: 2401190754511809012.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 = 1350
First residue number = 1
Last residue number = 675
Number of atoms found = 10478
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 7.061506 +/- 28.188695 From: -61.781000 To: 76.625000
= 1.670438 +/- 21.871521 From: -66.500000 To: 53.844000
= -1.734497 +/- 16.525717 From: -41.719000 To: 51.125000
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 0.7851 % Filled.
Pdbmat> 3878664 non-zero elements.
Pdbmat> 424852 atom-atom interactions.
Pdbmat> Number per atom= 81.09 +/- 23.12
Maximum number = 130
Minimum number = 9
Pdbmat> Matrix trace = 8.497040E+06
Pdbmat> Larger element = 517.342
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1350 non-zero elements, NRBL set to 7
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 = 2401190754511809012.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 7
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 2401190754511809012.atom to be opened.
Openam> file on opening on unit 11:
2401190754511809012.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 10478 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 7 residue(s) per block.
Blocpdb> 1350 residues.
Blocpdb> 44 atoms in block 1
Block first atom: 1
Blocpdb> 55 atoms in block 2
Block first atom: 45
Blocpdb> 59 atoms in block 3
Block first atom: 100
Blocpdb> 57 atoms in block 4
Block first atom: 159
Blocpdb> 60 atoms in block 5
Block first atom: 216
Blocpdb> 54 atoms in block 6
Block first atom: 276
Blocpdb> 62 atoms in block 7
Block first atom: 330
Blocpdb> 55 atoms in block 8
Block first atom: 392
Blocpdb> 49 atoms in block 9
Block first atom: 447
Blocpdb> 55 atoms in block 10
Block first atom: 496
Blocpdb> 55 atoms in block 11
Block first atom: 551
Blocpdb> 56 atoms in block 12
Block first atom: 606
Blocpdb> 47 atoms in block 13
Block first atom: 662
Blocpdb> 59 atoms in block 14
Block first atom: 709
Blocpdb> 50 atoms in block 15
Block first atom: 768
Blocpdb> 58 atoms in block 16
Block first atom: 818
Blocpdb> 56 atoms in block 17
Block first atom: 876
Blocpdb> 59 atoms in block 18
Block first atom: 932
Blocpdb> 67 atoms in block 19
Block first atom: 991
Blocpdb> 58 atoms in block 20
Block first atom: 1058
Blocpdb> 65 atoms in block 21
Block first atom: 1116
Blocpdb> 64 atoms in block 22
Block first atom: 1181
Blocpdb> 59 atoms in block 23
Block first atom: 1245
Blocpdb> 56 atoms in block 24
Block first atom: 1304
Blocpdb> 59 atoms in block 25
Block first atom: 1360
Blocpdb> 50 atoms in block 26
Block first atom: 1419
Blocpdb> 60 atoms in block 27
Block first atom: 1469
Blocpdb> 58 atoms in block 28
Block first atom: 1529
Blocpdb> 57 atoms in block 29
Block first atom: 1587
Blocpdb> 37 atoms in block 30
Block first atom: 1644
Blocpdb> 56 atoms in block 31
Block first atom: 1681
Blocpdb> 60 atoms in block 32
Block first atom: 1737
Blocpdb> 55 atoms in block 33
Block first atom: 1797
Blocpdb> 62 atoms in block 34
Block first atom: 1852
Blocpdb> 51 atoms in block 35
Block first atom: 1914
Blocpdb> 56 atoms in block 36
Block first atom: 1965
Blocpdb> 54 atoms in block 37
Block first atom: 2021
Blocpdb> 54 atoms in block 38
Block first atom: 2075
Blocpdb> 59 atoms in block 39
Block first atom: 2129
Blocpdb> 59 atoms in block 40
Block first atom: 2188
Blocpdb> 56 atoms in block 41
Block first atom: 2247
Blocpdb> 54 atoms in block 42
Block first atom: 2303
Blocpdb> 52 atoms in block 43
Block first atom: 2357
Blocpdb> 53 atoms in block 44
Block first atom: 2409
Blocpdb> 53 atoms in block 45
Block first atom: 2462
Blocpdb> 52 atoms in block 46
Block first atom: 2515
Blocpdb> 49 atoms in block 47
Block first atom: 2567
Blocpdb> 56 atoms in block 48
Block first atom: 2616
Blocpdb> 37 atoms in block 49
Block first atom: 2672
Blocpdb> 54 atoms in block 50
Block first atom: 2709
Blocpdb> 59 atoms in block 51
Block first atom: 2763
Blocpdb> 51 atoms in block 52
Block first atom: 2822
Blocpdb> 59 atoms in block 53
Block first atom: 2873
Blocpdb> 59 atoms in block 54
Block first atom: 2932
Blocpdb> 65 atoms in block 55
Block first atom: 2991
Blocpdb> 61 atoms in block 56
Block first atom: 3056
Blocpdb> 54 atoms in block 57
Block first atom: 3117
Blocpdb> 46 atoms in block 58
Block first atom: 3171
Blocpdb> 55 atoms in block 59
Block first atom: 3217
Blocpdb> 65 atoms in block 60
Block first atom: 3272
Blocpdb> 51 atoms in block 61
Block first atom: 3337
Blocpdb> 48 atoms in block 62
Block first atom: 3388
Blocpdb> 33 atoms in block 63
Block first atom: 3436
Blocpdb> 57 atoms in block 64
Block first atom: 3469
Blocpdb> 60 atoms in block 65
Block first atom: 3526
Blocpdb> 50 atoms in block 66
Block first atom: 3586
Blocpdb> 49 atoms in block 67
Block first atom: 3636
Blocpdb> 52 atoms in block 68
Block first atom: 3685
Blocpdb> 58 atoms in block 69
Block first atom: 3737
Blocpdb> 49 atoms in block 70
Block first atom: 3795
Blocpdb> 59 atoms in block 71
Block first atom: 3844
Blocpdb> 61 atoms in block 72
Block first atom: 3903
Blocpdb> 53 atoms in block 73
Block first atom: 3964
Blocpdb> 50 atoms in block 74
Block first atom: 4017
Blocpdb> 47 atoms in block 75
Block first atom: 4067
Blocpdb> 39 atoms in block 76
Block first atom: 4114
Blocpdb> 45 atoms in block 77
Block first atom: 4153
Blocpdb> 51 atoms in block 78
Block first atom: 4198
Blocpdb> 56 atoms in block 79
Block first atom: 4249
Blocpdb> 50 atoms in block 80
Block first atom: 4305
Blocpdb> 55 atoms in block 81
Block first atom: 4355
Blocpdb> 58 atoms in block 82
Block first atom: 4410
Blocpdb> 56 atoms in block 83
Block first atom: 4468
Blocpdb> 54 atoms in block 84
Block first atom: 4524
Blocpdb> 50 atoms in block 85
Block first atom: 4578
Blocpdb> 59 atoms in block 86
Block first atom: 4628
Blocpdb> 73 atoms in block 87
Block first atom: 4687
Blocpdb> 50 atoms in block 88
Block first atom: 4760
Blocpdb> 48 atoms in block 89
Block first atom: 4810
Blocpdb> 57 atoms in block 90
Block first atom: 4858
Blocpdb> 52 atoms in block 91
Block first atom: 4915
Blocpdb> 49 atoms in block 92
Block first atom: 4967
Blocpdb> 49 atoms in block 93
Block first atom: 5016
Blocpdb> 60 atoms in block 94
Block first atom: 5065
Blocpdb> 55 atoms in block 95
Block first atom: 5125
Blocpdb> 45 atoms in block 96
Block first atom: 5180
Blocpdb> 15 atoms in block 97
Block first atom: 5225
Blocpdb> 44 atoms in block 98
Block first atom: 5240
Blocpdb> 55 atoms in block 99
Block first atom: 5284
Blocpdb> 59 atoms in block 100
Block first atom: 5339
Blocpdb> 57 atoms in block 101
Block first atom: 5398
Blocpdb> 60 atoms in block 102
Block first atom: 5455
Blocpdb> 54 atoms in block 103
Block first atom: 5515
Blocpdb> 62 atoms in block 104
Block first atom: 5569
Blocpdb> 55 atoms in block 105
Block first atom: 5631
Blocpdb> 49 atoms in block 106
Block first atom: 5686
Blocpdb> 55 atoms in block 107
Block first atom: 5735
Blocpdb> 55 atoms in block 108
Block first atom: 5790
Blocpdb> 56 atoms in block 109
Block first atom: 5845
Blocpdb> 47 atoms in block 110
Block first atom: 5901
Blocpdb> 59 atoms in block 111
Block first atom: 5948
Blocpdb> 50 atoms in block 112
Block first atom: 6007
Blocpdb> 58 atoms in block 113
Block first atom: 6057
Blocpdb> 56 atoms in block 114
Block first atom: 6115
Blocpdb> 59 atoms in block 115
Block first atom: 6171
Blocpdb> 67 atoms in block 116
Block first atom: 6230
Blocpdb> 58 atoms in block 117
Block first atom: 6297
Blocpdb> 65 atoms in block 118
Block first atom: 6355
Blocpdb> 64 atoms in block 119
Block first atom: 6420
Blocpdb> 59 atoms in block 120
Block first atom: 6484
Blocpdb> 56 atoms in block 121
Block first atom: 6543
Blocpdb> 59 atoms in block 122
Block first atom: 6599
Blocpdb> 50 atoms in block 123
Block first atom: 6658
Blocpdb> 60 atoms in block 124
Block first atom: 6708
Blocpdb> 58 atoms in block 125
Block first atom: 6768
Blocpdb> 57 atoms in block 126
Block first atom: 6826
Blocpdb> 37 atoms in block 127
Block first atom: 6883
Blocpdb> 56 atoms in block 128
Block first atom: 6920
Blocpdb> 60 atoms in block 129
Block first atom: 6976
Blocpdb> 55 atoms in block 130
Block first atom: 7036
Blocpdb> 62 atoms in block 131
Block first atom: 7091
Blocpdb> 51 atoms in block 132
Block first atom: 7153
Blocpdb> 56 atoms in block 133
Block first atom: 7204
Blocpdb> 54 atoms in block 134
Block first atom: 7260
Blocpdb> 54 atoms in block 135
Block first atom: 7314
Blocpdb> 59 atoms in block 136
Block first atom: 7368
Blocpdb> 59 atoms in block 137
Block first atom: 7427
Blocpdb> 56 atoms in block 138
Block first atom: 7486
Blocpdb> 54 atoms in block 139
Block first atom: 7542
Blocpdb> 52 atoms in block 140
Block first atom: 7596
Blocpdb> 53 atoms in block 141
Block first atom: 7648
Blocpdb> 53 atoms in block 142
Block first atom: 7701
Blocpdb> 52 atoms in block 143
Block first atom: 7754
Blocpdb> 49 atoms in block 144
Block first atom: 7806
Blocpdb> 56 atoms in block 145
Block first atom: 7855
Blocpdb> 37 atoms in block 146
Block first atom: 7911
Blocpdb> 54 atoms in block 147
Block first atom: 7948
Blocpdb> 59 atoms in block 148
Block first atom: 8002
Blocpdb> 51 atoms in block 149
Block first atom: 8061
Blocpdb> 59 atoms in block 150
Block first atom: 8112
Blocpdb> 59 atoms in block 151
Block first atom: 8171
Blocpdb> 65 atoms in block 152
Block first atom: 8230
Blocpdb> 61 atoms in block 153
Block first atom: 8295
Blocpdb> 54 atoms in block 154
Block first atom: 8356
Blocpdb> 46 atoms in block 155
Block first atom: 8410
Blocpdb> 55 atoms in block 156
Block first atom: 8456
Blocpdb> 65 atoms in block 157
Block first atom: 8511
Blocpdb> 51 atoms in block 158
Block first atom: 8576
Blocpdb> 48 atoms in block 159
Block first atom: 8627
Blocpdb> 33 atoms in block 160
Block first atom: 8675
Blocpdb> 57 atoms in block 161
Block first atom: 8708
Blocpdb> 60 atoms in block 162
Block first atom: 8765
Blocpdb> 50 atoms in block 163
Block first atom: 8825
Blocpdb> 49 atoms in block 164
Block first atom: 8875
Blocpdb> 52 atoms in block 165
Block first atom: 8924
Blocpdb> 58 atoms in block 166
Block first atom: 8976
Blocpdb> 49 atoms in block 167
Block first atom: 9034
Blocpdb> 59 atoms in block 168
Block first atom: 9083
Blocpdb> 61 atoms in block 169
Block first atom: 9142
Blocpdb> 53 atoms in block 170
Block first atom: 9203
Blocpdb> 50 atoms in block 171
Block first atom: 9256
Blocpdb> 47 atoms in block 172
Block first atom: 9306
Blocpdb> 39 atoms in block 173
Block first atom: 9353
Blocpdb> 45 atoms in block 174
Block first atom: 9392
Blocpdb> 51 atoms in block 175
Block first atom: 9437
Blocpdb> 56 atoms in block 176
Block first atom: 9488
Blocpdb> 50 atoms in block 177
Block first atom: 9544
Blocpdb> 55 atoms in block 178
Block first atom: 9594
Blocpdb> 58 atoms in block 179
Block first atom: 9649
Blocpdb> 56 atoms in block 180
Block first atom: 9707
Blocpdb> 54 atoms in block 181
Block first atom: 9763
Blocpdb> 50 atoms in block 182
Block first atom: 9817
Blocpdb> 59 atoms in block 183
Block first atom: 9867
Blocpdb> 73 atoms in block 184
Block first atom: 9926
Blocpdb> 50 atoms in block 185
Block first atom: 9999
Blocpdb> 48 atoms in block 186
Block first atom: 10049
Blocpdb> 57 atoms in block 187
Block first atom: 10097
Blocpdb> 52 atoms in block 188
Block first atom: 10154
Blocpdb> 49 atoms in block 189
Block first atom: 10206
Blocpdb> 49 atoms in block 190
Block first atom: 10255
Blocpdb> 60 atoms in block 191
Block first atom: 10304
Blocpdb> 55 atoms in block 192
Block first atom: 10364
Blocpdb> 45 atoms in block 193
Block first atom: 10419
Blocpdb> 15 atoms in block 194
Block first atom: 10463
Blocpdb> 194 blocks.
Blocpdb> At most, 73 atoms in each of them.
Blocpdb> At least, 15 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> 3878858 matrix lines read.
Prepmat> Matrix order = 31434
Prepmat> Matrix trace = 8497040.0000
Prepmat> Last element read: 31434 31434 59.3349
Prepmat> 18916 lines saved.
Prepmat> 17447 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: 10478
RTB> Total mass = 10478.0000
RTB> Number of atoms found in matrix: 10478
RTB> Number of blocks = 194
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 191901.4234
RTB> 49927 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 = 1164
Diagstd> Nb of non-zero elements: 49927
Diagstd> Projected matrix trace = 191901.4234
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1164 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 191901.4234
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 0.0261795 0.0302250 0.0564174 0.0626646
0.0724005 0.1403186 0.2634643 0.3306854 0.3956117
0.4460288 0.5411849 0.6221429 0.9042899 0.9509925
0.9948300 1.2418852 1.3053733 1.5106118 1.5510108
1.6822309 1.8965195 2.0344202 2.3065847 2.3840619
2.6376882 3.0680453 3.1125037 3.5079456 4.2701640
4.7878344 4.8035748 5.5592003 5.9549633 6.1491286
6.5305540 6.7667329 7.2348093 7.4082076 7.5978763
8.1372990 8.4074473 8.5382458 8.8568476 9.1492092
9.4063755 9.5749368 9.7622526 10.0430377 10.8087383
11.5297390 11.6207823 11.9247291 12.0071955 12.1020296
12.2759956 12.5264603 12.7746419 13.0380192 13.2475409
13.7265577 14.2739427 14.4893688 14.7046161 15.0929594
15.2841203 15.4452358 15.9581829 16.3061195 16.7235989
17.0795578 17.5376197 17.6108613 17.8964979 18.1514231
18.6429043 19.0623125 19.2530063 19.4447978 19.5880996
20.0162808 20.5622624 20.7337880 20.9099915 21.1649347
22.0321831 22.2494798 22.8587711 22.9327838 23.1358009
23.3405100 23.8207498 24.0339961 24.3086473 24.3755873
24.6099950 24.8145968 24.9613029 25.3944625 25.5595580
25.9509511
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034331 0.0034336 0.0034339 0.0034341 0.0034345
0.0034347 17.5701771 18.8789880 25.7929886 27.1835699
29.2190568 40.6773733 55.7386170 62.4457335 68.3014387
72.5231584 79.8855289 85.6525643 103.2640399 105.8970400
108.3102911 121.0141106 124.0688161 133.4663279 135.2392319
140.8439147 149.5457010 154.8872296 164.9225292 167.6694896
176.3628078 190.2068548 191.5800232 203.3863057 224.3972635
237.6100698 238.0003295 256.0362400 264.9932571 269.2787409
277.5046687 282.4781087 292.0847107 295.5642147 299.3238961
309.7671900 314.8671524 317.3069664 323.1728486 328.4634563
333.0476986 336.0185381 339.2894069 344.1341936 357.0119730
368.7270670 370.1800103 374.9898740 376.2842759 377.7673209
380.4728242 384.3345818 388.1232401 392.1038333 395.2418416
402.3241479 410.2676325 413.3519717 416.4109346 421.8737295
424.5369586 426.7686914 433.7974550 438.5010029 444.0789135
448.7801010 454.7582690 455.7068732 459.3876417 462.6479269
468.8695895 474.1143199 476.4798696 478.8472482 480.6084830
485.8329573 492.4143816 494.4639199 496.5605438 499.5785076
509.7110470 512.2184425 519.1845017 520.0243362 522.3210748
524.6267745 529.9964910 532.3635026 535.3966838 536.1333515
538.7050452 540.9397444 542.5364301 547.2235674 548.9995011
553.1869418
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 10478
Rtb_to_modes> Number of blocs = 194
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: 9.9948E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9981E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.6180E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.0225E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.6417E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.2665E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 7.2401E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1403
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2635
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.3307
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.3956
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.4460
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.5412
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.6221
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.9043
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.9510
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.9948
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.242
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.305
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.511
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.551
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.682
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.897
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.034
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2.307
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 2.384
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 2.638
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 3.068
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 3.113
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 3.508
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 4.270
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 4.788
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 4.804
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 5.559
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 5.955
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 6.149
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 6.531
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 6.767
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 7.235
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 7.408
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 7.598
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 8.137
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 8.407
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 8.538
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 8.857
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 9.149
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 9.406
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 9.575
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 9.762
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 10.04
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 10.81
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 11.53
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 11.62
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 11.92
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 12.01
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 12.10
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 12.28
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 12.53
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 12.77
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 13.04
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 13.25
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 13.73
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 14.27
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 14.49
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 14.70
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 15.09
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 15.28
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 15.45
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 15.96
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 16.31
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 16.72
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 17.08
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 17.54
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 17.61
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 17.90
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 18.15
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 18.64
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 19.06
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 19.25
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 19.44
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 19.59
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 20.02
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 20.56
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 20.73
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 20.91
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 21.16
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 22.03
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 22.25
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 22.86
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 22.93
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 23.14
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 23.34
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 23.82
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 24.03
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 24.31
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 24.38
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 24.61
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 24.81
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 24.96
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 25.39
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 25.56
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 25.95
Rtb_to_modes> 106 vectors, with 1164 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 0.99999 1.00000 1.00000 1.00000
1.00000 1.00002 1.00001 0.99999 1.00000
1.00001 1.00004 1.00000 0.99998 1.00001
1.00000 1.00005 0.99999 1.00000 1.00003
1.00003 0.99999 1.00001 1.00000 1.00001
0.99998 0.99995 1.00002 1.00000 0.99995
1.00003 0.99998 1.00002 0.99997 1.00003
0.99998 1.00001 1.00000 0.99999 0.99999
1.00000 1.00000 1.00000 1.00001 1.00000
1.00004 0.99999 1.00004 1.00000 1.00001
1.00001 1.00001 1.00000 1.00002 1.00001
1.00000 0.99998 1.00001 1.00001 0.99998
0.99998 1.00000 0.99998 1.00001 1.00002
1.00002 1.00000 1.00003 0.99999 1.00001
1.00001 0.99998 1.00000 1.00002 1.00001
0.99999 0.99999 0.99999 0.99999 0.99999
1.00002 1.00001 1.00000 0.99999 1.00003
1.00002 0.99999 1.00001 1.00001 1.00001
1.00000 0.99998 0.99996 1.00001 1.00001
1.00000 1.00000 0.99999 0.99999 1.00000
0.99998 0.99997 1.00002 0.99998 0.99999
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 188604 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 0.99999 1.00000 1.00000 1.00000
1.00000 1.00002 1.00001 0.99999 1.00000
1.00001 1.00004 1.00000 0.99998 1.00001
1.00000 1.00005 0.99999 1.00000 1.00003
1.00003 0.99999 1.00001 1.00000 1.00001
0.99998 0.99995 1.00002 1.00000 0.99995
1.00003 0.99998 1.00002 0.99997 1.00003
0.99998 1.00001 1.00000 0.99999 0.99999
1.00000 1.00000 1.00000 1.00001 1.00000
1.00004 0.99999 1.00004 1.00000 1.00001
1.00001 1.00001 1.00000 1.00002 1.00001
1.00000 0.99998 1.00001 1.00001 0.99998
0.99998 1.00000 0.99998 1.00001 1.00002
1.00002 1.00000 1.00003 0.99999 1.00001
1.00001 0.99998 1.00000 1.00002 1.00001
0.99999 0.99999 0.99999 0.99999 0.99999
1.00002 1.00001 1.00000 0.99999 1.00003
1.00002 0.99999 1.00001 1.00001 1.00001
1.00000 0.99998 0.99996 1.00001 1.00001
1.00000 1.00000 0.99999 0.99999 1.00000
0.99998 0.99997 1.00002 0.99998 0.99999
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> 2401190754511809012.eigenfacs
Openam> file on opening on unit 10:
2401190754511809012.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401190754511809012.atom
Openam> file on opening on unit 11:
2401190754511809012.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 = 1350
First residue number = 1
Last residue number = 675
Number of atoms found = 10478
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9948E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9981E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.6180E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.0225E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.6417E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.2665E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 7.2401E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1403
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2635
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3307
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3956
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4460
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5412
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9043
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9948
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.242
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.551
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.682
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.897
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2.307
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 2.384
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 2.638
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 3.068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 3.113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 3.508
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 4.270
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 4.788
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 4.804
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 5.559
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 5.955
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.149
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 6.767
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.235
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.408
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.598
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.407
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.538
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.857
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.149
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.406
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.575
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.762
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 11.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 12.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 12.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 13.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 14.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 14.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 15.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 15.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 15.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 16.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 16.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 17.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 17.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 17.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 17.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 18.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 18.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 19.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 19.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 19.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 19.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 20.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 20.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 20.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 20.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 21.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 22.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 22.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 22.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 22.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 23.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 23.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 23.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 24.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 24.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 24.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 24.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 24.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 24.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 25.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 25.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 25.95
Bfactors> 106 vectors, 31434 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 : 0.026180
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= -0.313 for 1350 C-alpha atoms.
Bfactors> = 0.290 +/- 2.52
Bfactors> = 77.717 +/- 15.50
Bfactors> Shiftng-fct= 77.427
Bfactors> Scaling-fct= 6.140
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401190754511809012 7 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-500
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=0
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=500
2401190754511809012.eigenfacs
2401190754511809012.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190754511809012.7.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.7.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.7.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2401190754511809012 8 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-500
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=0
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=500
2401190754511809012.eigenfacs
2401190754511809012.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190754511809012.8.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.8.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.8.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2401190754511809012 9 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-500
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=0
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=500
2401190754511809012.eigenfacs
2401190754511809012.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190754511809012.9.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.9.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.9.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2401190754511809012 10 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-500
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=0
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=500
2401190754511809012.eigenfacs
2401190754511809012.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190754511809012.10.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.10.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.10.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2401190754511809012 11 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-500
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=0
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=500
2401190754511809012.eigenfacs
2401190754511809012.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190754511809012.11.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.11.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.11.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 2401190754511809012 12 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-500
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=0
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=500
2401190754511809012.eigenfacs
2401190754511809012.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190754511809012.12.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.12.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.12.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2401190754511809012 13 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-500
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=0
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=500
2401190754511809012.eigenfacs
2401190754511809012.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190754511809012.13.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.13.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.13.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2401190754511809012 14 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-500
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=0
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=500
2401190754511809012.eigenfacs
2401190754511809012.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190754511809012.14.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.14.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.14.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2401190754511809012 15 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-500
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=0
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=500
2401190754511809012.eigenfacs
2401190754511809012.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190754511809012.15.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.15.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.15.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2401190754511809012 16 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-500
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=-20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=0
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=20
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=40
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=60
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=80
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=100
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=120
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=140
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=160
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=180
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=200
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=220
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=240
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=260
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=280
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=300
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=320
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=340
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=360
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=380
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=400
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=420
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=440
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=460
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=480
2401190754511809012.eigenfacs
2401190754511809012.atom
calculating perturbed structure for DQ=500
2401190754511809012.eigenfacs
2401190754511809012.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190754511809012.16.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.16.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401190754511809012.16.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2401190754511809012.10.pdb
2401190754511809012.11.pdb
2401190754511809012.12.pdb
2401190754511809012.13.pdb
2401190754511809012.14.pdb
2401190754511809012.15.pdb
2401190754511809012.16.pdb
2401190754511809012.7.pdb
2401190754511809012.8.pdb
2401190754511809012.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m57.537s
user 0m57.287s
sys 0m0.232s
../../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: 2401190754511809012.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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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
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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
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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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