***  p448s  ***
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 = 2401191953361906063.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 2401191953361906063.atom to be opened.
Openam> File opened: 2401191953361906063.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 = 10472
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= -6.528809 +/- 28.908267 From: -71.688000 To: 55.531000
= -0.198068 +/- 21.302651 From: -52.469000 To: 55.500000
= -0.486248 +/- 16.434092 From: -48.844000 To: 51.812000
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 0.7875 % Filled.
Pdbmat> 3886114 non-zero elements.
Pdbmat> 425717 atom-atom interactions.
Pdbmat> Number per atom= 81.31 +/- 23.22
Maximum number = 131
Minimum number = 9
Pdbmat> Matrix trace = 8.514340E+06
Pdbmat> Larger element = 507.061
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 = 2401191953361906063.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 2401191953361906063.atom to be opened.
Openam> file on opening on unit 11:
2401191953361906063.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 10472 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> 52 atoms in block 57
Block first atom: 3117
Blocpdb> 46 atoms in block 58
Block first atom: 3169
Blocpdb> 55 atoms in block 59
Block first atom: 3215
Blocpdb> 65 atoms in block 60
Block first atom: 3270
Blocpdb> 51 atoms in block 61
Block first atom: 3335
Blocpdb> 48 atoms in block 62
Block first atom: 3386
Blocpdb> 33 atoms in block 63
Block first atom: 3434
Blocpdb> 56 atoms in block 64
Block first atom: 3467
Blocpdb> 60 atoms in block 65
Block first atom: 3523
Blocpdb> 50 atoms in block 66
Block first atom: 3583
Blocpdb> 49 atoms in block 67
Block first atom: 3633
Blocpdb> 52 atoms in block 68
Block first atom: 3682
Blocpdb> 58 atoms in block 69
Block first atom: 3734
Blocpdb> 49 atoms in block 70
Block first atom: 3792
Blocpdb> 59 atoms in block 71
Block first atom: 3841
Blocpdb> 61 atoms in block 72
Block first atom: 3900
Blocpdb> 53 atoms in block 73
Block first atom: 3961
Blocpdb> 50 atoms in block 74
Block first atom: 4014
Blocpdb> 47 atoms in block 75
Block first atom: 4064
Blocpdb> 39 atoms in block 76
Block first atom: 4111
Blocpdb> 45 atoms in block 77
Block first atom: 4150
Blocpdb> 51 atoms in block 78
Block first atom: 4195
Blocpdb> 56 atoms in block 79
Block first atom: 4246
Blocpdb> 50 atoms in block 80
Block first atom: 4302
Blocpdb> 55 atoms in block 81
Block first atom: 4352
Blocpdb> 58 atoms in block 82
Block first atom: 4407
Blocpdb> 56 atoms in block 83
Block first atom: 4465
Blocpdb> 54 atoms in block 84
Block first atom: 4521
Blocpdb> 50 atoms in block 85
Block first atom: 4575
Blocpdb> 59 atoms in block 86
Block first atom: 4625
Blocpdb> 73 atoms in block 87
Block first atom: 4684
Blocpdb> 50 atoms in block 88
Block first atom: 4757
Blocpdb> 48 atoms in block 89
Block first atom: 4807
Blocpdb> 57 atoms in block 90
Block first atom: 4855
Blocpdb> 52 atoms in block 91
Block first atom: 4912
Blocpdb> 49 atoms in block 92
Block first atom: 4964
Blocpdb> 49 atoms in block 93
Block first atom: 5013
Blocpdb> 60 atoms in block 94
Block first atom: 5062
Blocpdb> 55 atoms in block 95
Block first atom: 5122
Blocpdb> 45 atoms in block 96
Block first atom: 5177
Blocpdb> 15 atoms in block 97
Block first atom: 5222
Blocpdb> 44 atoms in block 98
Block first atom: 5237
Blocpdb> 55 atoms in block 99
Block first atom: 5281
Blocpdb> 59 atoms in block 100
Block first atom: 5336
Blocpdb> 57 atoms in block 101
Block first atom: 5395
Blocpdb> 60 atoms in block 102
Block first atom: 5452
Blocpdb> 54 atoms in block 103
Block first atom: 5512
Blocpdb> 62 atoms in block 104
Block first atom: 5566
Blocpdb> 55 atoms in block 105
Block first atom: 5628
Blocpdb> 49 atoms in block 106
Block first atom: 5683
Blocpdb> 55 atoms in block 107
Block first atom: 5732
Blocpdb> 55 atoms in block 108
Block first atom: 5787
Blocpdb> 56 atoms in block 109
Block first atom: 5842
Blocpdb> 47 atoms in block 110
Block first atom: 5898
Blocpdb> 59 atoms in block 111
Block first atom: 5945
Blocpdb> 50 atoms in block 112
Block first atom: 6004
Blocpdb> 58 atoms in block 113
Block first atom: 6054
Blocpdb> 56 atoms in block 114
Block first atom: 6112
Blocpdb> 59 atoms in block 115
Block first atom: 6168
Blocpdb> 67 atoms in block 116
Block first atom: 6227
Blocpdb> 58 atoms in block 117
Block first atom: 6294
Blocpdb> 65 atoms in block 118
Block first atom: 6352
Blocpdb> 64 atoms in block 119
Block first atom: 6417
Blocpdb> 59 atoms in block 120
Block first atom: 6481
Blocpdb> 56 atoms in block 121
Block first atom: 6540
Blocpdb> 59 atoms in block 122
Block first atom: 6596
Blocpdb> 50 atoms in block 123
Block first atom: 6655
Blocpdb> 60 atoms in block 124
Block first atom: 6705
Blocpdb> 58 atoms in block 125
Block first atom: 6765
Blocpdb> 57 atoms in block 126
Block first atom: 6823
Blocpdb> 37 atoms in block 127
Block first atom: 6880
Blocpdb> 56 atoms in block 128
Block first atom: 6917
Blocpdb> 60 atoms in block 129
Block first atom: 6973
Blocpdb> 55 atoms in block 130
Block first atom: 7033
Blocpdb> 62 atoms in block 131
Block first atom: 7088
Blocpdb> 51 atoms in block 132
Block first atom: 7150
Blocpdb> 56 atoms in block 133
Block first atom: 7201
Blocpdb> 54 atoms in block 134
Block first atom: 7257
Blocpdb> 54 atoms in block 135
Block first atom: 7311
Blocpdb> 59 atoms in block 136
Block first atom: 7365
Blocpdb> 59 atoms in block 137
Block first atom: 7424
Blocpdb> 56 atoms in block 138
Block first atom: 7483
Blocpdb> 54 atoms in block 139
Block first atom: 7539
Blocpdb> 52 atoms in block 140
Block first atom: 7593
Blocpdb> 53 atoms in block 141
Block first atom: 7645
Blocpdb> 53 atoms in block 142
Block first atom: 7698
Blocpdb> 52 atoms in block 143
Block first atom: 7751
Blocpdb> 49 atoms in block 144
Block first atom: 7803
Blocpdb> 56 atoms in block 145
Block first atom: 7852
Blocpdb> 37 atoms in block 146
Block first atom: 7908
Blocpdb> 54 atoms in block 147
Block first atom: 7945
Blocpdb> 59 atoms in block 148
Block first atom: 7999
Blocpdb> 51 atoms in block 149
Block first atom: 8058
Blocpdb> 59 atoms in block 150
Block first atom: 8109
Blocpdb> 59 atoms in block 151
Block first atom: 8168
Blocpdb> 65 atoms in block 152
Block first atom: 8227
Blocpdb> 61 atoms in block 153
Block first atom: 8292
Blocpdb> 52 atoms in block 154
Block first atom: 8353
Blocpdb> 46 atoms in block 155
Block first atom: 8405
Blocpdb> 55 atoms in block 156
Block first atom: 8451
Blocpdb> 65 atoms in block 157
Block first atom: 8506
Blocpdb> 51 atoms in block 158
Block first atom: 8571
Blocpdb> 48 atoms in block 159
Block first atom: 8622
Blocpdb> 33 atoms in block 160
Block first atom: 8670
Blocpdb> 56 atoms in block 161
Block first atom: 8703
Blocpdb> 60 atoms in block 162
Block first atom: 8759
Blocpdb> 50 atoms in block 163
Block first atom: 8819
Blocpdb> 49 atoms in block 164
Block first atom: 8869
Blocpdb> 52 atoms in block 165
Block first atom: 8918
Blocpdb> 58 atoms in block 166
Block first atom: 8970
Blocpdb> 49 atoms in block 167
Block first atom: 9028
Blocpdb> 59 atoms in block 168
Block first atom: 9077
Blocpdb> 61 atoms in block 169
Block first atom: 9136
Blocpdb> 53 atoms in block 170
Block first atom: 9197
Blocpdb> 50 atoms in block 171
Block first atom: 9250
Blocpdb> 47 atoms in block 172
Block first atom: 9300
Blocpdb> 39 atoms in block 173
Block first atom: 9347
Blocpdb> 45 atoms in block 174
Block first atom: 9386
Blocpdb> 51 atoms in block 175
Block first atom: 9431
Blocpdb> 56 atoms in block 176
Block first atom: 9482
Blocpdb> 50 atoms in block 177
Block first atom: 9538
Blocpdb> 55 atoms in block 178
Block first atom: 9588
Blocpdb> 58 atoms in block 179
Block first atom: 9643
Blocpdb> 56 atoms in block 180
Block first atom: 9701
Blocpdb> 54 atoms in block 181
Block first atom: 9757
Blocpdb> 50 atoms in block 182
Block first atom: 9811
Blocpdb> 59 atoms in block 183
Block first atom: 9861
Blocpdb> 73 atoms in block 184
Block first atom: 9920
Blocpdb> 50 atoms in block 185
Block first atom: 9993
Blocpdb> 48 atoms in block 186
Block first atom: 10043
Blocpdb> 57 atoms in block 187
Block first atom: 10091
Blocpdb> 52 atoms in block 188
Block first atom: 10148
Blocpdb> 49 atoms in block 189
Block first atom: 10200
Blocpdb> 49 atoms in block 190
Block first atom: 10249
Blocpdb> 60 atoms in block 191
Block first atom: 10298
Blocpdb> 55 atoms in block 192
Block first atom: 10358
Blocpdb> 45 atoms in block 193
Block first atom: 10413
Blocpdb> 15 atoms in block 194
Block first atom: 10457
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> 3886308 matrix lines read.
Prepmat> Matrix order = 31416
Prepmat> Matrix trace = 8514340.0000
Prepmat> Last element read: 31416 31416 80.6193
Prepmat> 18916 lines saved.
Prepmat> 17449 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: 10472
RTB> Total mass = 10472.0000
RTB> Number of atoms found in matrix: 10472
RTB> Number of blocks = 194
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 192900.7429
RTB> 49855 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: 49855
Diagstd> Projected matrix trace = 192900.7429
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 = 192900.7429
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 0.0271919 0.0301172 0.0401585 0.0679207
0.0738339 0.1325084 0.2319532 0.3461837 0.4165322
0.4716458 0.6182039 0.6233888 0.7636643 0.9075873
1.1004210 1.3750979 1.4539238 1.5418396 1.5949494
1.7459964 1.9825722 2.0721805 2.4097663 2.5285219
2.7057723 3.0110685 3.2187483 3.5117802 4.2793625
4.8204149 4.8426830 5.5033975 6.2076131 6.2187368
6.8850861 6.9470308 7.3370894 7.8837104 8.0564724
8.2869206 8.9290740 9.1292806 9.1969533 9.8141079
9.8787212 10.1883981 10.3026924 10.3850814 11.1407502
11.8851119 12.4193573 12.6377086 12.8018845 12.8857291
13.0439251 13.0835648 13.2008508 13.6789625 13.9408291
13.9446876 14.5130384 14.6993289 14.8136941 15.2445986
15.9794136 16.2235653 16.6370123 16.7624443 17.3011581
17.5541269 17.5830919 18.3677771 18.3765601 18.5435490
19.5358626 19.7386161 20.1481680 20.2023793 20.3534975
20.5926593 20.9529030 21.2117891 22.1178250 22.1942936
22.8563091 22.9944531 24.1402493 24.3291146 24.3538310
24.6918560 24.7428690 25.2492189 25.3929835 25.6472739
25.8236536 26.0722971 26.4303839 26.7008567 27.0624082
27.1799624
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034315 0.0034327 0.0034328 0.0034333 0.0034336
0.0034351 17.9066747 18.8452825 21.7612538 28.3006558
29.5068674 39.5290990 52.2992476 63.8923129 70.0841142
74.5767164 85.3809841 85.7382844 94.8956952 103.4521430
113.9133742 127.3391901 130.9381201 134.8388017 137.1414483
143.4884544 152.9008096 156.3180281 168.5709548 172.6746713
178.6244498 188.4324086 194.8223559 203.4974366 224.6388241
238.4171498 238.9672037 254.7479634 270.5562684 270.7985714
284.9377350 286.2166498 294.1420979 304.9022383 308.2249163
312.6020848 324.4878887 328.1055354 329.3193660 340.1893343
341.3073526 346.6157026 348.5544615 349.9453552 362.4536677
374.3664471 382.6879977 386.0374596 388.5368660 389.8071294
392.1926297 392.7881037 394.5447246 401.6260374 405.4521265
405.5082322 413.6894566 416.3360652 417.9525376 423.9877189
434.0859204 437.3895777 442.9278105 444.5943652 451.6820867
454.9722381 455.3474436 465.3970017 465.5082584 467.6185252
479.9672182 482.4514664 487.4309052 488.0862131 489.9083083
492.7782118 497.0698037 500.1311798 510.7007425 511.5828105
519.1565415 520.7230741 533.5389815 535.6220316 535.8940362
539.6002575 540.1573727 545.6564003 547.2076310 549.9407291
551.8284966 554.4787772 558.2735029 561.1227512 564.9090088
566.1346098
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 10472
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: 9.9860E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9928E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9934E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9962E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9982E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.7192E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.0117E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.0158E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.7921E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 7.3834E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1325
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2320
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.3462
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.4165
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.4716
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.6182
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.6234
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.7637
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.9076
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.100
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.375
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.454
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.542
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.595
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.746
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.983
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.072
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2.410
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 2.529
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 2.706
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 3.011
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 3.219
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 3.512
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 4.279
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 4.820
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 4.843
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 5.503
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 6.208
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 6.219
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 6.885
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 6.947
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 7.337
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 7.884
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 8.056
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 8.287
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 8.929
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 9.129
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 9.197
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 9.814
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 9.879
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 10.19
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 10.30
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 10.39
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 11.14
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 11.89
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 12.42
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 12.64
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 12.80
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 12.89
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 13.04
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 13.08
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 13.20
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 13.68
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 13.94
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 13.94
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 14.51
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 14.70
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 14.81
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 15.24
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 15.98
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 16.22
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 16.64
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 16.76
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 17.30
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 17.55
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 17.58
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 18.37
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 18.38
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 18.54
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 19.54
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 19.74
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 20.15
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 20.20
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 20.35
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 20.59
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 20.95
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 21.21
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 22.12
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 22.19
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 22.86
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 22.99
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 24.14
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 24.33
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 24.35
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 24.69
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 24.74
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 25.25
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 25.39
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 25.65
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 25.82
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 26.07
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 26.43
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 26.70
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 27.06
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 27.18
Rtb_to_modes> 106 vectors, with 1164 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 1.00002 1.00000 1.00000
1.00000 1.00000 1.00004 1.00000 1.00001
1.00001 0.99997 1.00000 1.00002 0.99999
1.00001 0.99998 1.00001 0.99995 1.00000
1.00003 1.00000 1.00002 1.00000 1.00001
0.99999 0.99999 1.00000 1.00001 0.99998
0.99999 0.99999 1.00000 1.00000 1.00000
0.99999 1.00000 1.00002 0.99996 0.99993
1.00002 0.99997 0.99998 1.00000 1.00001
1.00000 0.99997 0.99997 1.00001 1.00005
1.00001 1.00000 0.99998 0.99999 0.99997
0.99999 0.99998 1.00000 1.00000 0.99999
1.00000 1.00001 1.00003 0.99999 1.00001
0.99999 0.99999 0.99999 0.99999 1.00003
1.00000 0.99999 1.00000 1.00002 1.00000
1.00003 1.00000 0.99999 1.00000 0.99998
1.00002 0.99997 0.99999 1.00005 0.99999
1.00000 1.00000 0.99999 1.00001 0.99998
1.00001 0.99998 1.00002 1.00004 0.99999
0.99999 0.99995 1.00001 1.00000 1.00001
1.00000 0.99998 1.00003 0.99998 0.99999
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 188496 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 1.00002 1.00000 1.00000
1.00000 1.00000 1.00004 1.00000 1.00001
1.00001 0.99997 1.00000 1.00002 0.99999
1.00001 0.99998 1.00001 0.99995 1.00000
1.00003 1.00000 1.00002 1.00000 1.00001
0.99999 0.99999 1.00000 1.00001 0.99998
0.99999 0.99999 1.00000 1.00000 1.00000
0.99999 1.00000 1.00002 0.99996 0.99993
1.00002 0.99997 0.99998 1.00000 1.00001
1.00000 0.99997 0.99997 1.00001 1.00005
1.00001 1.00000 0.99998 0.99999 0.99997
0.99999 0.99998 1.00000 1.00000 0.99999
1.00000 1.00001 1.00003 0.99999 1.00001
0.99999 0.99999 0.99999 0.99999 1.00003
1.00000 0.99999 1.00000 1.00002 1.00000
1.00003 1.00000 0.99999 1.00000 0.99998
1.00002 0.99997 0.99999 1.00005 0.99999
1.00000 1.00000 0.99999 1.00001 0.99998
1.00001 0.99998 1.00002 1.00004 0.99999
0.99999 0.99995 1.00001 1.00000 1.00001
1.00000 0.99998 1.00003 0.99998 0.99999
1.00002
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> 2401191953361906063.eigenfacs
Openam> file on opening on unit 10:
2401191953361906063.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401191953361906063.atom
Openam> file on opening on unit 11:
2401191953361906063.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 = 10472
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: 9.9860E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9928E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9934E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9962E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9982E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.7192E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.0117E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.0158E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.7921E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 7.3834E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1325
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2320
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4165
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4716
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6182
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6234
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7637
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9076
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.100
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.375
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.454
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.542
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.595
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.746
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.983
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.072
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2.410
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 2.529
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 2.706
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 3.011
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 3.219
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 3.512
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 4.279
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 4.820
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 4.843
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 5.503
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.208
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.219
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.885
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 6.947
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.337
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.884
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.056
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.287
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.929
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.129
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.197
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.814
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.879
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 11.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 11.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 12.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 12.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 12.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 12.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 13.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 13.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 13.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 13.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 14.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 14.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 15.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 15.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 16.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 16.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 16.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 17.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 17.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 17.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 18.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 18.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 18.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 19.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 19.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 20.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 20.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 20.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 20.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 20.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 21.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 22.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 22.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 22.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 22.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 24.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 24.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 24.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 24.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 24.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 25.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 25.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 25.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 25.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 26.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 26.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 26.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 27.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 27.18
Bfactors> 106 vectors, 31416 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 : 0.027192
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= -0.312 for 1350 C-alpha atoms.
Bfactors> = 0.295 +/- 2.43
Bfactors> = 76.742 +/- 15.53
Bfactors> Shiftng-fct= 76.447
Bfactors> Scaling-fct= 6.384
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401191953361906063 7 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-500
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=0
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=500
2401191953361906063.eigenfacs
2401191953361906063.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401191953361906063.7.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 2401191953361906063.7.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 2401191953361906063.7.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 2401191953361906063 8 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-500
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=0
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=500
2401191953361906063.eigenfacs
2401191953361906063.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401191953361906063.8.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 2401191953361906063.8.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 2401191953361906063.8.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 2401191953361906063 9 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-500
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=0
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=500
2401191953361906063.eigenfacs
2401191953361906063.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401191953361906063.9.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 2401191953361906063.9.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 2401191953361906063.9.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 2401191953361906063 10 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-500
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=0
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=500
2401191953361906063.eigenfacs
2401191953361906063.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401191953361906063.10.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 2401191953361906063.10.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 2401191953361906063.10.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 2401191953361906063 11 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-500
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=0
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=500
2401191953361906063.eigenfacs
2401191953361906063.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401191953361906063.11.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 2401191953361906063.11.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 2401191953361906063.11.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 2401191953361906063 12 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-500
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=0
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=500
2401191953361906063.eigenfacs
2401191953361906063.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401191953361906063.12.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 2401191953361906063.12.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 2401191953361906063.12.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 2401191953361906063 13 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-500
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=0
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=500
2401191953361906063.eigenfacs
2401191953361906063.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401191953361906063.13.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 2401191953361906063.13.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 2401191953361906063.13.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 2401191953361906063 14 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-500
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=0
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=500
2401191953361906063.eigenfacs
2401191953361906063.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401191953361906063.14.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 2401191953361906063.14.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 2401191953361906063.14.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 2401191953361906063 15 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-500
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=0
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=500
2401191953361906063.eigenfacs
2401191953361906063.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401191953361906063.15.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 2401191953361906063.15.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 2401191953361906063.15.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 2401191953361906063 16 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-500
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=-20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=0
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=20
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=40
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=60
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=80
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=100
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=120
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=140
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=160
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=180
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=200
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=220
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=240
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=260
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=280
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=300
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=320
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=340
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=360
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=380
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=400
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=420
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=440
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=460
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=480
2401191953361906063.eigenfacs
2401191953361906063.atom
calculating perturbed structure for DQ=500
2401191953361906063.eigenfacs
2401191953361906063.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401191953361906063.16.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 2401191953361906063.16.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 2401191953361906063.16.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
2401191953361906063.10.pdb
2401191953361906063.11.pdb
2401191953361906063.12.pdb
2401191953361906063.13.pdb
2401191953361906063.14.pdb
2401191953361906063.15.pdb
2401191953361906063.16.pdb
2401191953361906063.7.pdb
2401191953361906063.8.pdb
2401191953361906063.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m57.968s
user 0m57.733s
sys 0m0.200s
../../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: 2401191953361906063.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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