*** ***
output from eigenvector calculation:
STDOUT:
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 = 2404101806373334081.atom
Pdbmat> Distance cutoff = 5.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2404101806373334081.atom to be opened.
Openam> File opened: 2404101806373334081.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 = 194
First residue number = 96
Last residue number = 289
Number of atoms found = 197
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.608198 +/- 9.187907 From: -18.534000 To: 21.554000
= 0.227853 +/- 7.582606 From: -19.065000 To: 16.353000
= 31.344289 +/- 10.750922 From: 11.962000 To: 53.464000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 2.0082 % Filled.
Pdbmat> 3513 non-zero elements.
Pdbmat> 259 atom-atom interactions.
Pdbmat> Number per atom= 2.63 +/- 0.79
Maximum number = 5
Minimum number = 1
Pdbmat> Matrix trace = 5180.00
Pdbmat> Larger element = 27.3914
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 197 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 591
Diagstd> Number of non-zero elements 3513
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 5180.0000006
%Diagstd-Wn: Nb on non-zero elements there: 591
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 591 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 5180.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000067 0.0000493 0.0000808
3.9061482 3.9253287 4.7270440 5.3166708 5.3815053
5.7121104 5.8504270 6.1858111 6.4010534 7.0475479
7.2000499 7.3299743 7.3957751 7.4424291 7.4578272
7.8653982 7.8836585 7.9740541 8.1587238 8.2006456
8.4672815 8.6426745 8.9703772 9.0534872 9.1260466
9.1612839 9.4666159 9.5237867 9.5606436 9.8407796
9.8470488 9.9860940 10.0086474 10.4413901 10.4706105
10.7717085 10.8212207 10.9828746 11.1617742 11.2890673
11.3672412 11.4010133 11.6324273 11.7534314 11.7991110
11.8300889 11.9591078 12.1829050 12.1979557 12.3313099
12.3494632 12.6282355 12.7545988 12.8399695 13.0762401
13.1263978 13.2498317 13.4270190 13.4320209 13.5252301
13.5822137 13.6753977 13.7157494 13.9448412 13.9650830
14.0464537 14.2248472 14.2368512 14.2859174 14.6201517
14.7717177 14.9019894 14.9579685 15.0581487 15.1492139
15.1563299 15.4567216 15.4901018 15.7633261 15.8203045
15.8727411 16.3360530 16.4083932 16.6691214 16.8357390
16.8662931 16.9089744 16.9199526 16.9827289 16.9898825
17.0141450 17.3218482 17.3810677 17.5651906 17.7213172
17.7320107 17.8026834 17.9635864 18.0372530 18.1780442
18.2751263 18.3580092 18.4684265 18.5178344 18.5708701
18.6487633 18.7592828 18.8348331 18.8944270 19.0000826
19.0339228 19.0766354 19.1307282 19.1879873 19.1944861
19.2106906 19.2515873 19.4851846 19.5340940 19.6327290
19.7806333 19.8508829 19.8819404 19.9216566 19.9339068
19.9785764 19.9812501 19.9997681 20.0042149 20.0131208
20.0164370 20.0214696 20.0298619 20.0605759 20.1334768
20.2361077 20.2574850 20.3001193 20.3094621 20.4230757
20.4811593 20.5869987 20.6352051 20.6628395 20.6998095
20.7416351 20.7484133 20.8253010 20.8353336 20.9231526
20.9770388 20.9930173 21.0354830 21.1576366 21.2313387
21.4338317 21.4950854 21.6230644 21.6872407 21.7495849
21.8458427 22.3110935 22.4388870 22.6103664 22.7427234
22.8519192 22.8816331 23.0071548 23.0454578 23.1287528
23.1472750 23.2250836 23.2744624 23.3821621 23.5317831
23.6399018 23.8581505 24.2887425 24.3755141 24.4604680
24.5029331 24.6110583 25.0395147 25.1004374 25.1673513
25.2175967 25.2286191 25.2917020 25.5494828 25.6071736
25.6849742 25.7563969 25.8277138 26.1379267 26.2137208
26.4057735 26.4176370 26.5652022 26.5909906 26.7591364
27.0486209 27.2899986 27.3322823 27.4341010 27.5553728
27.5972923 27.7939260 27.8162653 27.9150986 27.9611373
28.2893112 28.5352622 28.6946615 29.3707134 29.4134127
29.5707504 29.6136502 29.6282584 29.6829805 29.9117700
29.9706125 30.0708044 30.3010605 30.3305131 30.5809439
30.8272439 30.8976130 30.9106794 30.9567388 31.0516044
31.1784383 31.4007618 31.5241128 31.9042025 32.0181790
32.3130500 32.4143591 32.4672744 33.1321031 33.3710816
33.4966559 33.5806080 33.5861727 33.7535464 34.9939254
35.0805411 35.3745065 35.9104578 36.0153899 36.6698337
36.9640981 37.6577400 39.3665084 40.2026769 43.0339142
45.6418937
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0033689 0.0033691 0.0033809 0.0033857 0.0033872
0.0033889 0.0033898 0.0033913 0.0033917 0.0033929
0.0033931 0.0033940 0.0033944 0.0033964 0.0033965
0.0033967 0.0033967 0.0033970 0.0033973 0.0033978
0.0033990 0.0033993 0.0034002 0.0034003 0.0034011
0.0034024 0.0034026 0.0034028 0.0034044 0.0034047
0.0034054 0.0034056 0.0034061 0.0034065 0.0034073
0.0034083 0.0034084 0.0034085 0.0034090 0.0034092
0.0034102 0.0034105 0.0034112 0.0034115 0.0034118
0.0034121 0.0034136 0.0034138 0.0034146 0.0034148
0.0034148 0.0034153 0.0034156 0.0034163 0.0034163
0.0034164 0.0034167 0.0034175 0.0034175 0.0034181
0.0034181 0.0034182 0.0034182 0.0034183 0.0034185
0.0034187 0.0034187 0.0034188 0.0034188 0.0034195
0.0034205 0.0034205 0.0034209 0.0034209 0.0034214
0.0034216 0.0034220 0.0034220 0.0034221 0.0034222
0.0034222 0.0034223 0.0034224 0.0034229 0.0034231
0.0034232 0.0034234 0.0034235 0.0034237 0.0034238
0.0034241 0.0034241 0.0034242 0.0034243 0.0034243
0.0034243 0.0034243 0.0034244 0.0034246 0.0034248
0.0034249 0.0034252 0.0034253 0.0034254 0.0034257
0.0034257 0.0034258 0.0034260 0.0034260 0.0034264
0.0034267 0.0034269 0.0034269 0.0034270 0.0034270
0.0034271 0.0034271 0.0034273 0.0034274 0.0034275
0.0034275 0.0034279 0.0034279 0.0034279 0.0034282
0.0034283 0.0034284 0.0034286 0.0034286 0.0034288
0.0034289 0.0034290 0.0034291 0.0034292 0.0034294
0.0034294 0.0034296 0.0034296 0.0034297 0.0034297
0.0034299 0.0034300 0.0034306 0.0034307 0.0034309
0.0034310 0.0034311 0.0034311 0.0034312 0.0034313
0.0034315 0.0034316 0.0034317 0.0034317 0.0034317
0.0034318 0.0034318 0.0034319 0.0034320 0.0034320
0.0034321 0.0034321 0.0034325 0.0034325 0.0034325
0.0034326 0.0034326 0.0034327 0.0034329 0.0034331
0.0034333 0.0034334 0.0034335 0.0034335 0.0034336
0.0034336 0.0034336 0.0034337 0.0034338 0.0034338
0.0034339 0.0034340 0.0034340 0.0034341 0.0034341
0.0034342 0.0034343 0.0034346 0.0034347 0.0034347
0.0034348 0.0034349 0.0034351 0.0034351 0.0034353
0.0034353 0.0034354 0.0034355 0.0034355 0.0034355
0.0034356 0.0034357 0.0034358 0.0034358 0.0034359
0.0034359 0.0034360 0.0034363 0.0034363 0.0034364
0.0034365 0.0034366 0.0034366 0.0034368 0.0034369
0.0034370 0.0034375 0.0034376 0.0034377 0.0034379
0.0034379 0.0034379 0.0034381 0.0034381 0.0034383
0.0034383 0.0034384 0.0034386 0.0034387 0.0034388
0.0034390 0.0034391 0.0034395 0.0034398 0.0034399
0.0034402 0.0034404 0.0034405 0.0034405 0.0034406
0.0034407 0.0034410 0.0034411 0.0034411 0.0034414
0.0034416 0.0034421 0.0034421 0.0034422 0.0034424
0.0034426 0.0034426 0.0034427 0.0034429 0.0034430
0.0034430 0.0034433 0.0034434 0.0034436 0.0034440
0.0034441 0.0034444 0.0034445 0.0034447 0.0034448
0.0034454 0.0034457 0.0034457 0.0034458 0.0034458
0.0034459 0.0034460 0.0034465 0.0034466 0.0034468
0.0034470 0.0034472 0.0034473 0.0034476 0.0034477
0.0034478 0.0034480 0.0034480 0.0034480 0.0034482
0.0034483 0.0034493 0.0034493 0.0034494 0.0034495
0.0034495 0.0034497 0.0034500 0.0034502 0.0034506
0.0034514 0.0034517 0.0034520 0.0034525 0.0034533
0.0034538 0.0034540 0.0034541 0.0034543 0.0034546
0.0034555 0.0034560 0.0034564 0.0034570 0.0034571
0.0034578 0.0034583 0.0034592 0.0034617 0.0034620
0.0034628 0.0034637 0.0034647 0.0034652 0.0034660
0.0034667 0.0034688 0.0034696 0.0034707 0.0034736
0.0034738 0.0034739 0.0034788 0.0034791 0.0034824
0.0034865 0.0034882 0.2802763 0.7620912 0.9758249
214.6197277 215.1460092 236.0968010 250.3889539 251.9110200
259.5335915 262.6570491 270.0807350 274.7394388 288.2798564
291.3822099 293.9994426 295.3161031 296.2460940 296.5523962
304.5479192 304.9012331 306.6442805 310.1747181 310.9705780
315.9855908 319.2415112 325.2375133 326.7406935 328.0474162
328.6801306 334.1124492 335.1198163 335.7676453 340.6512868
340.7597771 343.1571920 343.5444806 350.8927874 351.3834330
356.3999030 357.2180605 359.8763380 362.7955045 364.8583676
366.1194644 366.6629318 370.3654386 372.2867831 373.0095263
373.4988633 375.5300289 379.0274894 379.2615415 381.3290459
381.6096248 385.8927476 387.8186415 389.1143763 392.6781377
393.4305331 395.2760134 397.9102096 397.9843184 399.3628021
400.2032033 401.5737002 402.1657222 405.5104652 405.8046699
406.9852091 409.5614627 409.7342354 410.4396875 415.2132645
417.3599573 419.1962661 419.9828797 421.3869393 422.6592021
422.7584578 426.9273454 427.3880908 431.1408868 431.9193885
432.6345967 438.9033015 439.8740156 443.3550246 445.5653120
445.9694419 446.5333630 446.6782966 447.5061609 447.6004025
447.9198874 451.9520849 452.7239870 455.1155912 457.1337433
457.2716452 458.1819909 460.2478879 461.1906334 462.9870655
464.2217385 465.2732372 466.6703712 467.2941863 467.9628811
468.9432604 470.3307736 471.2769165 472.0218944 473.3398018
473.7611366 474.2924042 474.9643696 475.6746322 475.7551789
475.9559597 476.4623099 479.3442720 479.9454922 481.1556787
482.9646856 483.8215344 484.1998654 484.6832436 484.8322410
485.3751628 485.4076406 485.6325191 485.6865038 485.7946066
485.8348529 485.8959248 485.9977490 486.3702229 487.2531656
488.4934796 488.7514323 489.2654803 489.3780554 490.7449665
491.4423154 492.7104785 493.2870055 493.6171965 494.0585906
494.5574799 494.6382819 495.5539295 495.6732809 496.7167918
497.3560106 497.5453960 498.0483715 499.4923679 500.3615960
502.7420231 503.4598800 504.9564235 505.7052126 506.4315647
507.5509926 512.9271748 514.3940500 516.3558241 517.8649457
519.1066837 519.4440654 520.8668735 521.3002702 522.2415083
522.4505806 523.3279414 523.8839697 525.0946750 526.7720196
527.9807811 530.4123983 535.1774368 536.1325460 537.0660027
537.5319929 538.7166832 543.3857360 544.0463799 544.7710691
545.3146031 545.4337660 546.1152551 548.8912867 549.5106360
550.3447746 551.1094203 551.8718763 555.1762102 555.9805707
558.0135267 558.1388647 559.6955357 559.9671347 561.7347963
564.7650900 567.2794317 567.7187389 568.7751932 570.0309364
570.4643598 572.4930636 572.7230870 573.7396488 574.2125713
577.5724472 580.0777586 581.6956726 588.5082134 588.9358460
590.5089077 590.9370931 591.0828277 591.6284277 593.9041179
594.4879958 595.4808546 597.7563448 598.0467831 600.5106628
602.9240802 603.6118328 603.7394513 604.1890938 605.1141417
606.3487120 608.5067114 609.7007327 613.3653339 614.4599687
617.2829148 618.2498220 618.7542512 625.0572290 627.3074156
628.4865762 629.2736666 629.3258028 630.8919490 642.3794083
643.1739143 645.8631038 650.7373749 651.6874246 657.5817487
660.2149239 666.3806944 681.3319091 688.5298393 712.3619350
733.6300426
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404101806373334081.eigenfacs
Openam> file on opening on unit 10:
2404101806373334081.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404101806373334081.atom
Openam> file on opening on unit 11:
2404101806373334081.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 = 194
First residue number = 96
Last residue number = 289
Number of atoms found = 197
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.6244E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.6258E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.6931E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7211E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7296E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7394E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7447E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7528E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7556E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7621E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7635E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7687E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7711E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7824E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7828E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7840E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7842E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7856E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7874E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7908E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7975E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7994E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8042E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8052E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8093E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8169E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8184E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8191E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8283E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8305E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8341E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8357E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8385E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8409E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8454E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8508E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8515E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8522E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8552E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8562E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8619E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8639E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8677E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8696E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8712E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8730E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8818E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8828E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8875E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8885E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8890E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8918E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8931E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8976E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8983E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8996E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9041E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9044E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9078E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9081E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9086E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9087E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9088E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9099E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9112E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9114E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9117E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9119E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9162E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9216E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9218E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9240E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9241E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9268E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9281E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9302E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9303E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9312E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9316E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9317E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9320E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9328E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9356E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9366E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9374E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9384E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9394E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9405E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9411E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9428E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9428E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9432E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9435E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9437E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9439E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9440E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9445E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9455E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9466E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9470E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9492E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9495E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9499E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9518E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9521E-10
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 591 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 106 eigenvalues less than : 0.000000
Bfactors> 0 eigenvectors will be considered.
Bfactors> Correlation= 0.000 for 197 C-alpha atoms.
Bfactors> = 0.000 +/- 0.00
Bfactors> = 18.896 +/- 6.56
Bfactors> Shiftng-fct= 18.896
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404101806373334081 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=0
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=100
2404101806373334081.eigenfacs
2404101806373334081.atom
making animated gifs
11 models are in 2404101806373334081.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2404101806373334081 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=0
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=100
2404101806373334081.eigenfacs
2404101806373334081.atom
making animated gifs
11 models are in 2404101806373334081.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2404101806373334081 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=0
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=100
2404101806373334081.eigenfacs
2404101806373334081.atom
making animated gifs
11 models are in 2404101806373334081.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2404101806373334081 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=0
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=100
2404101806373334081.eigenfacs
2404101806373334081.atom
making animated gifs
11 models are in 2404101806373334081.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2404101806373334081 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=0
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=100
2404101806373334081.eigenfacs
2404101806373334081.atom
making animated gifs
11 models are in 2404101806373334081.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 2404101806373334081 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=0
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=100
2404101806373334081.eigenfacs
2404101806373334081.atom
making animated gifs
11 models are in 2404101806373334081.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2404101806373334081 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=0
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=100
2404101806373334081.eigenfacs
2404101806373334081.atom
making animated gifs
11 models are in 2404101806373334081.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2404101806373334081 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=0
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=100
2404101806373334081.eigenfacs
2404101806373334081.atom
making animated gifs
11 models are in 2404101806373334081.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2404101806373334081 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=0
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=100
2404101806373334081.eigenfacs
2404101806373334081.atom
making animated gifs
11 models are in 2404101806373334081.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2404101806373334081 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=-20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=0
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=20
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=40
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=60
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=80
2404101806373334081.eigenfacs
2404101806373334081.atom
calculating perturbed structure for DQ=100
2404101806373334081.eigenfacs
2404101806373334081.atom
making animated gifs
11 models are in 2404101806373334081.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404101806373334081.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2404101806373334081.10.pdb
2404101806373334081.11.pdb
2404101806373334081.12.pdb
2404101806373334081.13.pdb
2404101806373334081.14.pdb
2404101806373334081.15.pdb
2404101806373334081.16.pdb
2404101806373334081.7.pdb
2404101806373334081.8.pdb
2404101806373334081.9.pdb
STDERR:
real 0m2.215s
user 0m2.179s
sys 0m0.004s
../../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: 2404101806373334081.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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