*** ***
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 = 2402161359403008950.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 2402161359403008950.atom to be opened.
Openam> File opened: 2402161359403008950.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 = 183
First residue number = 96
Last residue number = 288
Number of atoms found = 191
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 33.614864 +/- 9.083740 From: 11.460000 To: 53.033000
= 27.826749 +/- 8.647031 From: 6.241000 To: 48.000000
= 97.849780 +/- 9.283232 From: 77.117000 To: 117.891000
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 2.1143 % Filled.
Pdbmat> 3477 non-zero elements.
Pdbmat> 259 atom-atom interactions.
Pdbmat> Number per atom= 2.71 +/- 0.95
Maximum number = 6
Minimum number = 1
Pdbmat> Matrix trace = 5180.00
Pdbmat> Larger element = 24.7517
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 191 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) = 573
Diagstd> Number of non-zero elements 3477
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: 573
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 573 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
0.0000428 0.0001023 0.0002361 0.0011440 0.0014311
0.0018737 1.6258224 4.6533548 5.8663729 5.9449083
5.9656059 6.0170192 6.4882727 6.6903274 6.6984200
7.0078438 7.1847020 7.4250198 7.4723754 7.6125287
7.6864514 8.1773445 8.2451497 8.3705696 8.4579712
8.5038000 8.5986221 8.8986637 9.0281013 9.2005134
9.2024078 9.2807828 9.3053020 9.3748816 9.5575505
9.8236064 9.8565031 9.9805283 10.0517847 10.1962991
10.3943868 10.6210047 10.6472254 10.7639716 10.7959503
11.0821294 11.2339628 11.5012804 11.7434349 11.8668274
11.9356887 12.2760230 12.3615198 12.4758746 12.5152818
12.6499785 12.8873680 12.9221331 12.9676588 13.2830325
13.3343861 13.4241666 13.5852863 13.6447600 13.7076557
13.7687359 13.8701937 13.9451901 13.9742462 14.0928984
14.1131049 14.1628692 14.2636381 14.4238405 14.7464506
14.7973403 14.8277972 15.1740515 15.4133459 15.5594895
15.7339944 15.9358366 15.9489767 16.0544192 16.0745746
16.3751214 16.4315438 16.5524770 16.5929829 16.6490969
16.7428577 16.7890495 16.9076907 17.2630355 17.4769902
17.6113535 17.6499030 17.7964697 17.8592394 17.8600155
17.8960532 18.1012800 18.1756008 18.2125516 18.2799977
18.3382740 18.3768784 18.4033198 18.5105259 18.5294477
18.5880461 18.6836425 18.8320009 18.9645372 19.0100300
19.0366209 19.1015399 19.2467732 19.2873355 19.3907966
19.5459829 19.5852234 19.6269420 19.6373769 19.8228051
19.8896853 19.9112259 19.9124941 19.9299059 19.9472192
19.9553813 19.9946229 19.9981977 20.0444353 20.0874977
20.0905489 20.1212802 20.1623109 20.2086420 20.3251172
20.3729221 20.4017618 20.4272096 20.4509588 20.5599575
20.6288812 20.6402701 20.6533475 20.7832892 20.8521722
21.0229544 21.0405878 21.0809147 21.2163398 21.2548064
21.3425258 21.4269491 21.4443105 21.4894741 21.6213069
21.6523431 21.6750695 21.7993995 21.9511154 22.0236331
22.0584706 22.1398717 22.2508014 22.6351097 22.7126710
22.8264883 22.8937337 22.9758304 23.0568508 23.1059140
23.3876712 23.5025705 23.8403525 23.9069665 24.0510233
24.1566080 24.3476154 24.4270381 24.4496417 25.4693018
25.4912090 25.5858444 25.7154113 25.8698907 26.0101381
26.0548099 26.1298063 26.2088948 26.3746174 26.5115980
26.5316142 26.6064661 26.6761706 26.8904650 26.9214080
27.0568628 27.1774503 27.2188213 27.3337871 27.3496275
27.4520222 27.5055897 27.5830844 28.0009294 28.0643817
28.4256615 28.9046918 29.1115890 29.1197225 29.2449219
29.2947812 29.4916026 29.5707623 29.9940485 30.0194717
30.0542762 30.1387625 30.2370207 30.2783676 30.4751011
30.5274714 30.6076861 30.6613643 30.7751655 30.8588348
31.5061580 31.6677504 32.0479548 32.1944242 32.6837285
32.8065052 33.0788250 33.4003236 34.0597426 34.0841967
34.2814379 34.6353543 34.8913435 35.2775711 35.8182612
36.0738699 36.4055492 36.4755796 36.8302274 36.9404903
38.0710671 39.0153351 39.2602801 39.3440238 40.4112570
42.4388410 45.6329688 50.2715101
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0033790 0.0033795 0.0033861 0.0033869 0.0033897
0.0033898 0.0033904 0.0033905 0.0033927 0.0033950
0.0033960 0.0033964 0.0033967 0.0033981 0.0033987
0.0033999 0.0034010 0.0034013 0.0034016 0.0034027
0.0034039 0.0034041 0.0034049 0.0034052 0.0034065
0.0034069 0.0034071 0.0034085 0.0034090 0.0034093
0.0034102 0.0034102 0.0034109 0.0034121 0.0034123
0.0034126 0.0034137 0.0034143 0.0034148 0.0034152
0.0034154 0.0034157 0.0034158 0.0034164 0.0034165
0.0034171 0.0034172 0.0034174 0.0034175 0.0034180
0.0034182 0.0034183 0.0034186 0.0034195 0.0034195
0.0034203 0.0034204 0.0034204 0.0034205 0.0034206
0.0034208 0.0034208 0.0034211 0.0034216 0.0034223
0.0034223 0.0034225 0.0034226 0.0034227 0.0034234
0.0034236 0.0034237 0.0034238 0.0034241 0.0034241
0.0034243 0.0034244 0.0034246 0.0034250 0.0034253
0.0034255 0.0034255 0.0034256 0.0034257 0.0034258
0.0034259 0.0034260 0.0034262 0.0034262 0.0034264
0.0034266 0.0034268 0.0034268 0.0034269 0.0034275
0.0034277 0.0034278 0.0034285 0.0034285 0.0034289
0.0034290 0.0034291 0.0034294 0.0034294 0.0034295
0.0034298 0.0034298 0.0034299 0.0034301 0.0034301
0.0034301 0.0034302 0.0034303 0.0034303 0.0034304
0.0034305 0.0034306 0.0034307 0.0034310 0.0034311
0.0034314 0.0034315 0.0034315 0.0034315 0.0034316
0.0034316 0.0034317 0.0034320 0.0034321 0.0034323
0.0034323 0.0034324 0.0034326 0.0034327 0.0034327
0.0034328 0.0034329 0.0034329 0.0034331 0.0034332
0.0034333 0.0034335 0.0034336 0.0034337 0.0034337
0.0034338 0.0034338 0.0034339 0.0034339 0.0034340
0.0034340 0.0034340 0.0034340 0.0034341 0.0034342
0.0034345 0.0034345 0.0034346 0.0034346 0.0034347
0.0034349 0.0034349 0.0034353 0.0034354 0.0034354
0.0034354 0.0034359 0.0034359 0.0034360 0.0034361
0.0034361 0.0034362 0.0034362 0.0034363 0.0034364
0.0034364 0.0034365 0.0034365 0.0034366 0.0034368
0.0034370 0.0034372 0.0034375 0.0034376 0.0034377
0.0034377 0.0034378 0.0034378 0.0034379 0.0034379
0.0034380 0.0034385 0.0034387 0.0034388 0.0034389
0.0034391 0.0034393 0.0034394 0.0034395 0.0034395
0.0034396 0.0034403 0.0034403 0.0034403 0.0034404
0.0034404 0.0034406 0.0034408 0.0034409 0.0034409
0.0034411 0.0034411 0.0034412 0.0034412 0.0034412
0.0034415 0.0034417 0.0034417 0.0034418 0.0034418
0.0034421 0.0034422 0.0034424 0.0034425 0.0034427
0.0034427 0.0034430 0.0034430 0.0034432 0.0034432
0.0034433 0.0034434 0.0034435 0.0034438 0.0034439
0.0034440 0.0034442 0.0034442 0.0034444 0.0034447
0.0034449 0.0034451 0.0034454 0.0034457 0.0034460
0.0034460 0.0034461 0.0034462 0.0034462 0.0034469
0.0034469 0.0034470 0.0034470 0.0034471 0.0034474
0.0034476 0.0034481 0.0034482 0.0034485 0.0034485
0.0034485 0.0034490 0.0034492 0.0034493 0.0034510
0.0034513 0.0034516 0.0034519 0.0034523 0.0034525
0.0034527 0.0034528 0.0034530 0.0034533 0.0034535
0.0034539 0.0034541 0.0034550 0.0034557 0.0034563
0.0034571 0.0034575 0.0034578 0.0034579 0.0034591
0.0034596 0.0034596 0.0034604 0.0034619 0.0034622
0.0034629 0.0034631 0.0034643 0.0034663 0.0034664
0.0034671 0.0034675 0.0034693 0.0034714 0.0034716
0.0034728 0.0034732 0.0034734 0.0034737 0.0034747
0.0034755 0.0034757 0.0034772 0.0034785 0.0034814
0.0034849 0.0034891 0.0034905 0.0034929 0.0087874
0.7104966 1.0984800 1.6685950 3.6728403 4.1080090
4.7005516 138.4623921 234.2493337 263.0147545 264.7694425
265.2299473 266.3704096 276.6048742 280.8788031 281.0486260
287.4666616 291.0714843 295.8994034 296.8415026 299.6123780
301.0635807 310.5284720 311.8132404 314.1758402 315.8118202
316.6662640 318.4268722 323.9348532 326.2822818 329.3830989
329.4170076 330.8168215 331.2535307 332.4896840 335.7133259
340.3539200 340.9233214 343.0615498 344.2840237 346.7500741
350.1021014 353.8979773 354.3345532 356.2718857 356.8007168
361.4988243 363.9668007 368.2717242 372.1284314 374.0783668
375.1621557 380.4732493 381.7958598 383.5577668 384.1630550
386.2248156 389.8319187 390.3573720 391.0443969 395.7709357
396.5352441 397.8679418 400.2484671 401.1236155 402.0470447
402.9417934 404.4236484 405.5155381 405.9377824 407.6575036
407.9496503 408.6682537 410.1195153 412.4162180 417.0028568
417.7217715 418.1514425 423.0055417 426.3278883 428.3442612
430.7395762 433.4936237 433.6723082 435.1035030 435.3765404
439.4278164 440.1842145 441.8010841 442.3413241 443.0886453
444.3345392 444.9470537 446.5164134 451.1841784 453.9715131
455.7132406 456.2117239 458.1020231 458.9091950 458.9191659
459.3819338 462.0084549 462.9559474 463.4263013 464.2836062
465.0230809 465.5122895 465.8470684 467.2019633 467.4406931
468.1792385 469.3815928 471.2414828 472.8968320 473.4636936
473.7947138 474.6018974 476.4027336 476.9044750 478.1818701
480.0915228 480.5731963 481.0847600 481.2126306 483.4792459
484.2941648 484.5563394 484.5717706 484.7835830 484.9941055
485.0933217 485.5700471 485.6134523 486.1745187 486.6964750
486.7334366 487.1055576 487.6019500 488.1618609 489.5666327
490.1420273 490.4888248 490.7946310 491.0798533 492.3867831
493.2114126 493.3475421 493.5038058 495.0538251 495.8735360
497.9000323 498.1088001 498.5859153 500.1848243 500.6380529
501.6700653 502.6612994 502.8649005 503.3941612 504.9359021
505.2981754 505.5632875 507.0111910 508.7724386 509.6121362
510.0150350 510.9552078 512.2336547 516.6382807 517.5226783
518.8177572 519.5813979 520.5121705 521.4291121 521.9835975
525.1565296 526.4449474 530.2145200 530.9547581 532.5520493
533.7197279 535.8256465 536.6988747 536.9471354 548.0293273
548.2649678 549.2817340 550.6707614 552.3222992 553.8174162
554.2927966 555.0899645 555.9293893 557.6842308 559.1305640
559.3415953 560.1300569 560.8633002 563.1115512 563.4354456
564.8511279 566.1084473 566.5391642 567.7343668 567.8988488
568.9609383 569.5157777 570.3174958 574.6210131 575.2717126
578.9626801 583.8206492 585.9063923 585.9882346 587.2466034
587.7469845 589.7181128 590.5090262 594.7203847 594.9723767
595.3171810 596.1533492 597.1243467 597.5324682 599.4705570
599.9854196 600.7731704 601.2997429 602.4145863 603.2329306
609.5270776 611.0881849 614.7456151 616.1488061 620.8133932
621.9783447 624.5544648 627.5821999 633.7470653 633.9745323
635.8062532 639.0798106 641.4371755 644.9775794 649.9014859
652.2162986 655.2078228 655.8377050 659.0183090 660.0040612
670.0277735 678.2861528 680.4120198 681.1373059 690.3136486
707.4195172 733.5583115 769.9388711
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402161359403008950.eigenfacs
Openam> file on opening on unit 10:
2402161359403008950.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402161359403008950.atom
Openam> file on opening on unit 11:
2402161359403008950.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 = 183
First residue number = 96
Last residue number = 288
Number of atoms found = 191
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: 9.6823E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.6853E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7231E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7281E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7440E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7444E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7477E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7484E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7613E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7741E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7799E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7827E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7839E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7922E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7956E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8026E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8090E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8108E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8123E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8185E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8258E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8269E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8315E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8332E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8405E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8431E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8440E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8522E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8554E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8568E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8622E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8623E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8659E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8729E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8740E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8759E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8821E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8857E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8889E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8912E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8922E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8938E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8944E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8981E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8985E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9021E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9026E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9035E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9046E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9073E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9086E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9093E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9106E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9162E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9162E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9203E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9211E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9214E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9218E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9223E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9235E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9237E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9250E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9283E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9320E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9321E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9332E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9342E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9345E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9385E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9397E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9401E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9407E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9426E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9429E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9435E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9446E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9456E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9479E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9493E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9507E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9510E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9514E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9519E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9527E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9533E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9535E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9546E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9551E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9559E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9569E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9581E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9583E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9590E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9623E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9635E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9639E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9680E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9681E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9703E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9714E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9715E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9736E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9737E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9742E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9758E-10
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 573 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 191 C-alpha atoms.
Bfactors> = 0.000 +/- 0.00
Bfactors> = 21.846 +/- 11.71
Bfactors> Shiftng-fct= 21.846
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402161359403008950 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=0
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=100
2402161359403008950.eigenfacs
2402161359403008950.atom
making animated gifs
11 models are in 2402161359403008950.7.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 2402161359403008950.7.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 2402161359403008950.7.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 2402161359403008950 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=0
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=100
2402161359403008950.eigenfacs
2402161359403008950.atom
making animated gifs
11 models are in 2402161359403008950.8.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 2402161359403008950.8.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 2402161359403008950.8.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 2402161359403008950 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=0
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=100
2402161359403008950.eigenfacs
2402161359403008950.atom
making animated gifs
11 models are in 2402161359403008950.9.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 2402161359403008950.9.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 2402161359403008950.9.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 2402161359403008950 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=0
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=100
2402161359403008950.eigenfacs
2402161359403008950.atom
making animated gifs
11 models are in 2402161359403008950.10.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 2402161359403008950.10.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 2402161359403008950.10.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 2402161359403008950 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=0
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=100
2402161359403008950.eigenfacs
2402161359403008950.atom
making animated gifs
11 models are in 2402161359403008950.11.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 2402161359403008950.11.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 2402161359403008950.11.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 2402161359403008950 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=0
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=100
2402161359403008950.eigenfacs
2402161359403008950.atom
making animated gifs
11 models are in 2402161359403008950.12.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 2402161359403008950.12.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 2402161359403008950.12.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 2402161359403008950 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=0
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=100
2402161359403008950.eigenfacs
2402161359403008950.atom
making animated gifs
11 models are in 2402161359403008950.13.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 2402161359403008950.13.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 2402161359403008950.13.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 2402161359403008950 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=0
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=100
2402161359403008950.eigenfacs
2402161359403008950.atom
making animated gifs
11 models are in 2402161359403008950.14.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 2402161359403008950.14.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 2402161359403008950.14.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 2402161359403008950 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=0
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=100
2402161359403008950.eigenfacs
2402161359403008950.atom
making animated gifs
11 models are in 2402161359403008950.15.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 2402161359403008950.15.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 2402161359403008950.15.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 2402161359403008950 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=-20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=0
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=20
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=40
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=60
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=80
2402161359403008950.eigenfacs
2402161359403008950.atom
calculating perturbed structure for DQ=100
2402161359403008950.eigenfacs
2402161359403008950.atom
making animated gifs
11 models are in 2402161359403008950.16.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 2402161359403008950.16.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 2402161359403008950.16.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
2402161359403008950.10.pdb
2402161359403008950.11.pdb
2402161359403008950.12.pdb
2402161359403008950.13.pdb
2402161359403008950.14.pdb
2402161359403008950.15.pdb
2402161359403008950.16.pdb
2402161359403008950.7.pdb
2402161359403008950.8.pdb
2402161359403008950.9.pdb
STDERR:
real 0m2.027s
user 0m1.997s
sys 0m0.008s
../../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: 2402161359403008950.Chkmod.res: No such file or directory
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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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