*** ***
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 = 2404301838353804395.atom
Pdbmat> Distance cutoff = 6.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2404301838353804395.atom to be opened.
Openam> File opened: 2404301838353804395.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 = 195
First residue number = 96
Last residue number = 290
Number of atoms found = 199
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 97.045724 +/- 7.518664 From: 80.354000 To: 115.922000
= 82.574362 +/- 9.443399 From: 62.410000 To: 100.050000
= -30.303945 +/- 10.689513 From: -51.687000 To: -9.874000
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 3.2252 % Filled.
Pdbmat> 5757 non-zero elements.
Pdbmat> 507 atom-atom interactions.
Pdbmat> Number per atom= 5.10 +/- 1.69
Maximum number = 10
Minimum number = 1
Pdbmat> Matrix trace = 10140.0
Pdbmat> Larger element = 48.4552
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 199 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) = 597
Diagstd> Number of non-zero elements 5757
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 10140.0000006
%Diagstd-Wn: Nb on non-zero elements there: 597
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 597 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 10140.0000006
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
0.0000014 0.0000015 0.0000035 0.0000137 0.0000254
0.0000337 0.0000969 0.0001970 0.0004531 0.0212961
0.0398218 0.0454481 0.0491392 0.0541590 0.0582543
0.0806945 0.0956809 0.0964533 0.1118627 0.1244563
0.1340195 0.1396507 0.1431221 0.2058701 0.2552868
0.2699626 0.2741460 0.2767426 0.2931634 0.3101772
0.3401307 0.3830666 0.4045779 0.4109640 0.5179329
0.5280623 0.5502599 0.5909358 0.6112839 0.6769359
0.7294865 0.7886554 0.8346162 0.8390906 0.8808753
0.9317777 0.9399093 1.0033936 1.0387659 1.0631912
1.0917060 1.1084005 1.2054505 1.2315543 1.2882241
1.3104943 1.3266318 1.4068877 1.4349226 1.4544757
1.5237073 1.5518674 1.5952468 1.6281356 1.6830977
1.7401874 1.7777982 1.8485701 1.9195728 1.9584306
2.1019817 2.1930269 2.2518964 2.2997701 2.3291241
2.3445554 2.4501923 2.4994175 2.5447096 2.7010348
2.8114949 2.8445010 2.8960472 2.9145121 2.9691396
3.0553334 3.0833417 3.1838120 3.2144410 3.2619270
3.3815748 3.4008655 3.4201748 3.6079110 3.6662640
3.7783336 3.8181236 3.8933214 3.9989016 4.1361472
4.1572576 4.2017985 4.2509483 4.2828037 4.4233982
4.4756663 4.5365079 4.5980889 4.6374574 4.7396411
4.7699119 4.8343594 4.9276864 4.9550602 5.0012023
5.0217462 5.1187580 5.2111371 5.3439962 5.4783743
5.5744931 5.6811334 5.7013475 5.7397532 5.8271985
5.8983631 5.9325326 5.9719314 6.0801475 6.1807126
6.2308612 6.3326971 6.4108965 6.4428768 6.5127859
6.5382808 6.5719800 6.6292663 6.7797620 6.8727695
6.9432775 6.9774477 7.0181442 7.0446006 7.1488100
7.2143646 7.3438702 7.4366320 7.5182702 7.6729304
7.7760876 7.8471631 7.8808477 7.9021211 7.9558776
8.0064244 8.0722858 8.2803910 8.3157922 8.4825721
8.5588050 8.6432707 8.7028359 8.7080844 8.7644931
8.8819735 8.9755095 9.0421846 9.0923622 9.2371695
9.2919485 9.3304114 9.4359834 9.4576165 9.5370542
9.6015704 9.9174318 10.0067495 10.1373501 10.1764732
10.2657410 10.4109285 10.4564234 10.5270932 10.6154088
10.7662587 10.8545556 11.0357809 11.0896318 11.1604240
11.3062063 11.3979874 11.4579584 11.6711562 11.7109251
11.8135979 11.9307243 12.0429465 12.1304801 12.2060232
12.2873077 12.4527231 12.4762742 12.6029241 12.8380116
12.9103226 12.9531923 12.9768668 13.0120251 13.0385625
13.0949305 13.1648248 13.1882674 13.3820524 13.4394802
13.5150209 13.6419262 13.7846672 13.9038825 13.9280410
14.0150102 14.1280781 14.1688186 14.2484193 14.2993883
14.3376495 14.3723343 14.7175869 14.7647186 14.8704953
14.9166079 15.0335588 15.0916790 15.1724440 15.2238108
15.3234228 15.4194809 15.5622324 15.6767191 15.7209647
15.7673693 15.9313016 16.1377313 16.3538125 16.4085901
16.5437851 16.5639131 16.6760281 16.7381231 16.8256920
16.9406247 17.0500992 17.1217690 17.1510936 17.3011459
17.4177081 17.7460030 17.8020563 17.9124440 17.9408718
18.0171461 18.0594411 18.2880294 18.3448398 18.5370632
18.5961705 18.7197702 18.8242034 18.9419016 19.0908165
19.2629274 19.3166211 19.3618382 19.4992707 19.6204910
19.7054069 19.7701710 19.8203981 20.0387248 20.1040117
20.1254878 20.3530534 20.5069009 20.6018804 20.8252234
20.8785535 20.9708540 21.0775895 21.1108474 21.1894434
21.2587490 21.3201808 21.3575779 21.4383930 21.5319717
21.6085312 21.7168581 21.8042064 21.8421397 21.8901117
21.9318897 21.9854214 22.0911955 22.2024640 22.3553491
22.4006326 22.4522336 22.5402041 22.6689580 22.6995054
22.8301038 22.8721129 22.9586833 23.0077041 23.1121824
23.1452776 23.3257032 23.6098436 23.8176631 23.9073580
24.0351553 24.0720058 24.1206223 24.2201875 24.3462710
24.4023575 24.5158565 24.6770929 24.7580131 24.7960199
24.8657411 24.9880570 25.1033919 25.1792944 25.2944600
25.4365588 25.5643981 25.6653469 25.7636924 26.0654660
26.1679051 26.2380026 26.4137292 26.5634888 26.6392218
26.7270407 26.8392933 27.0770429 27.0964609 27.3063715
27.3252029 27.3658775 27.6381883 27.7120514 27.9183101
28.0292636 28.1697524 28.1922618 28.3424679 28.4703039
28.5307243 28.6835957 28.7736562 28.9151757 29.0196041
29.0955583 29.2150294 29.3805558 29.4859561 29.7081631
29.7716023 29.9948102 30.1877599 30.2556592 30.4732337
30.6512314 30.6858826 30.7995063 30.9103512 31.2014388
31.3969822 31.5178638 31.8516078 31.9906889 32.0801655
32.1793493 32.9098763 32.9638523 33.0565354 33.3990085
33.4722120 33.5088216 33.6806378 33.8441448 33.9241267
34.3642409 34.3855362 34.4967838 34.8258744 34.8445349
35.1092002 35.1668108 35.6230129 35.6545953 35.7562172
36.1256777 36.2777123 36.4100249 36.5785458 36.7343370
36.7800493 36.9642462 37.0529384 37.2836496 37.6390637
37.7148172 37.9872306 38.0380706 38.2545512 38.5152085
38.7262295 38.8014193 39.0408526 39.1919761 39.4367141
39.4865341 39.6970146 40.0200280 40.3227073 40.4733243
40.6227873 40.7249548 40.7635625 41.1011443 41.1944919
41.2695394 41.5067004 41.7828061 42.3134002 42.3581562
42.4639991 42.6651515 42.9688846 43.0896748 43.3744300
43.3876828 43.4789393 43.8613186 43.9994495 44.4783800
44.8805364 44.9795818 45.3385686 45.6928380 45.7616057
46.2812141 46.4447476 46.8109210 46.9862549 47.1081214
47.2571979 47.3961897 48.1955162 48.2283656 48.4395129
48.5745880 48.6528706 49.0920987 49.2265477 49.9633194
50.3713013 50.4600650 50.9245781 51.3103494 51.7278466
51.9410907 52.1808059 52.4129821 52.7339167 53.2691340
53.8756990 53.9709358 54.6836836 54.7096158 54.9762421
55.7273538 55.7471369 57.8092313 58.0189848 58.2278649
58.5421371 58.7678652 59.8047012 59.9769922 60.3064668
60.9356910 61.6694774 64.2119985 64.4568720 65.4197567
69.8094725 73.3348049
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0033948 0.0034040 0.0034043 0.0034053 0.0034059
0.0034067 0.0034093 0.0034114 0.0034130 0.0034147
0.0034162 0.0034169 0.0034181 0.0034182 0.0034186
0.0034188 0.0034189 0.0034200 0.0034205 0.0034217
0.0034221 0.0034224 0.0034235 0.0034239 0.0034249
0.0034250 0.0034255 0.0034261 0.0034266 0.0034269
0.0034272 0.0034286 0.0034289 0.0034291 0.0034297
0.0034299 0.0034301 0.0034306 0.0034312 0.0034313
0.0034314 0.0034318 0.0034323 0.0034329 0.0034330
0.0034335 0.0034339 0.0034342 0.0034345 0.0034348
0.0034353 0.0034354 0.0034356 0.0034360 0.0034366
0.0034368 0.0034375 0.0034385 0.0034386 0.0034389
0.0034396 0.0034397 0.0034401 0.0034416 0.0034419
0.0034425 0.0034435 0.0034440 0.0034454 0.0034464
0.0034467 0.0034467 0.0034469 0.0034472 0.0034473
0.0034480 0.0034494 0.0034510 0.0034534 0.0034540
0.0034546 0.0034566 0.0034569 0.0034569 0.0034608
0.0034620 0.0034625 0.0034631 0.0034643 0.0034672
0.0034695 0.0034741 0.0034789 0.0034799 0.0034836
0.1291936 0.1310782 0.2034111 0.4017197 0.5470225
0.6308344 1.0690385 1.5241909 2.3113762 15.8469248
21.6698310 23.1501076 24.0718459 25.2714765 26.2095322
30.8473126 33.5898356 33.7251444 36.3193398 38.3092553
39.7538517 40.5804519 41.0817229 49.2710563 54.8667820
56.4218187 56.8573050 57.1259320 58.7963230 60.4783864
63.3312712 67.2097733 69.0710942 69.6140918 78.1505507
78.9110560 80.5525316 83.4767305 84.9017710 89.3447547
92.7478651 96.4359390 99.2061721 99.4717397 101.9183788
104.8217553 105.2781520 108.7754634 110.6761702 111.9698148
113.4613968 114.3256392 119.2257259 120.5097138 123.2511534
124.3119391 125.0749914 128.8027069 130.0796966 130.9629678
134.0435892 135.2765697 137.1542359 138.5608580 140.8801956
143.2495575 144.7893145 147.6431302 150.4518650 151.9670274
157.4380666 160.8115579 162.9556725 164.6787233 165.7263616
166.2744540 169.9790370 171.6780166 173.2265238 178.4680051
182.0807054 183.1463743 184.7983528 185.3865453 187.1158548
189.8124000 190.6804233 193.7621700 194.6919574 196.1247476
199.6892926 200.2580614 200.8257661 206.2638819 207.9252090
211.0791965 212.1877312 214.2670604 217.1529016 220.8479001
221.4107734 222.5937123 223.8918021 224.7291264 228.3880099
229.7333937 231.2896064 232.8541397 233.8488546 236.4111783
237.1649248 238.7617476 241.0553695 241.7239853 242.8468590
243.3451293 245.6843987 247.8914396 251.0315750 254.1681527
256.3881636 258.8289034 259.2889666 260.1608182 262.1351062
263.7309092 264.4937082 265.3705256 267.7640930 269.9694082
271.0624248 273.2685403 274.9505939 275.6355267 277.1268991
277.6687884 278.3834391 279.5941075 282.7499298 284.6827606
286.1393215 286.8425513 287.6778497 288.2195709 290.3435336
291.6717204 294.2779873 296.1306949 297.7516964 300.7986683
302.8139313 304.1946835 304.8468761 305.2580469 306.2945901
307.2660545 308.5272617 312.4789034 313.1461624 316.2707726
317.6887582 319.2525231 320.3507005 320.4472837 321.4834960
323.6309261 325.3305415 326.5366733 327.4414427 330.0386010
331.0157638 331.7001575 333.5714431 333.9535997 335.3531615
336.4855478 341.9754198 343.5119064 345.7462702 346.4127967
347.9288428 350.3805678 351.1452997 352.3299119 353.8047357
356.3097337 357.7678450 360.7420884 361.6211666 362.7735599
365.1352263 366.6142715 367.5774845 370.9814723 371.6129853
373.2384463 375.0841258 376.8440463 378.2111035 379.3869397
380.6480836 383.2017165 383.5639087 385.5058215 389.0847083
390.1789428 390.8262151 391.1832082 391.7127667 392.1120038
392.9586738 394.0059876 394.3566355 397.2433574 398.0948109
399.2120492 401.0819601 403.1748405 404.9144958 405.2661194
406.5294286 408.1659984 408.7540793 409.9006661 410.6331530
411.1821562 411.6792103 416.5945512 417.2610705 418.7530629
419.4018261 421.0427372 421.8558338 422.9831358 423.6985424
425.0824480 426.4127259 428.3820138 429.9548656 430.5611864
431.1961753 433.4319377 436.2309952 439.1418099 439.8766543
441.6850708 441.9536769 443.4468659 444.2717099 445.4323426
446.9510802 448.3929089 449.3343259 449.7189508 451.6819284
453.2009218 457.4520266 458.1739206 459.5922564 459.9568078
460.9335078 461.4742074 464.3855909 465.1063217 467.5367412
468.2815428 469.8351842 471.1439124 472.6145293 474.4686609
476.6026191 477.2663996 477.8246758 479.5175039 481.0056926
482.0454451 482.8369441 483.4498915 486.1052609 486.8964910
487.1564842 489.9029626 491.7510508 492.8885290 495.5530055
496.1871164 497.2826859 498.5465919 498.9397596 499.8676770
500.6844834 501.4073796 501.8469396 502.7955139 503.8916721
504.7867007 506.0504050 507.0670878 507.5079743 508.0649894
508.5495874 509.1698477 510.3932114 511.6769668 513.4356356
513.9553866 514.5470075 515.5540498 517.0244234 517.3726633
518.8588438 519.3359938 520.3179024 520.8730910 522.0543976
522.4280390 524.4603409 527.6450105 529.9621507 530.9591056
532.3763402 532.7843014 533.3220434 534.4216341 535.8108533
536.4276719 537.6737273 539.4389217 540.3226511 540.7372255
541.4969120 542.8271040 544.0783979 544.9003139 546.1450311
547.6769441 549.0514794 550.1344604 551.1874655 554.4061347
555.4944933 556.2380136 558.0975818 559.6774866 560.4747442
561.3978150 562.5755041 565.0617330 565.2643106 567.4495785
567.6452109 568.0675343 570.8868848 571.6492235 573.7726508
574.9116698 576.3506609 576.5808849 578.1148327 579.4171312
580.0316324 581.5835001 582.4958100 583.9265179 584.9800055
585.7450505 586.9464009 588.6068121 589.6616560 591.8793392
592.5109557 594.7279361 596.6377442 597.3083561 599.4521900
601.2003762 601.5401090 602.6527709 603.7362464 606.5723239
608.4700887 609.6402995 612.8595530 614.1961309 615.0544715
616.0045346 622.9574801 623.4681320 624.3440072 627.5698449
628.2572185 628.6006963 630.2102086 631.7380743 632.4841088
636.5736500 636.7708601 637.8001007 640.8351054 641.0067701
643.4365814 643.9642722 648.1277315 648.4149748 649.3383654
652.6844735 654.0564399 655.2480968 656.7627282 658.1598468
658.5692278 660.2162466 661.0078351 663.0625345 666.2154288
666.8855142 669.2896315 669.7373516 671.6404376 673.9247507
675.7684122 676.4241210 678.5079285 679.8198808 681.9391768
682.3697845 684.1860320 686.9639928 689.5569212 690.8435685
692.1179928 692.9877949 693.3161971 696.1811130 696.9712367
697.6058134 699.6073851 701.9304493 706.3732479 706.7467236
707.6291684 709.3032117 711.8234978 712.8233025 715.1747467
715.2839970 716.0358233 719.1775503 720.3091006 724.2187439
727.4854300 728.2877191 731.1882144 734.0393579 734.5915151
738.7502691 740.0542959 742.9658858 744.3560037 745.3206824
746.4990577 747.5960444 753.8737097 754.1305816 755.7795973
756.8326220 757.4422304 760.8535644 761.8947310 767.5751780
770.7026733 771.3814360 774.9238015 777.8534216 781.0115922
782.6197666 784.4236365 786.1668289 788.5700796 792.5617309
797.0613293 797.7655061 803.0159309 803.2063122 805.1611388
810.6427276 810.7866032 825.6459932 827.1425130 828.6301154
830.8632815 832.4635712 839.7750021 840.9837835 843.2905292
847.6784656 852.7670562 870.1685318 871.8261539 878.3138730
907.3032328 929.9301974
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404301838353804395.eigenfacs
Openam> file on opening on unit 10:
2404301838353804395.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404301838353804395.atom
Openam> file on opening on unit 11:
2404301838353804395.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 = 195
First residue number = 96
Last residue number = 290
Number of atoms found = 199
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: 9.7731E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8260E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8281E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8340E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8372E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8418E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8567E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8691E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8785E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8883E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8967E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9011E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9076E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9085E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9107E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9121E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9123E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9188E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9217E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9285E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9310E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9329E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9390E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9415E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9473E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9477E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9508E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9543E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9575E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9588E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9607E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9689E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9706E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9720E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9755E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9764E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9777E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9807E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9840E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9847E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9854E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9873E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9901E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9937E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9941E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9976E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9997E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0010E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0012E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0015E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0017E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0021E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0026E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0027E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0029E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0033E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0034E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0036E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0044E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0046E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0050E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0056E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0059E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0067E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0072E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0074E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0075E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0076E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0077E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0078E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0082E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0090E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0099E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0114E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0117E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0120E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0132E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0134E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0134E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0157E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0164E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0167E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0170E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0177E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0195E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0208E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0235E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0263E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0269E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0291E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 1.4154E-06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 1.4570E-06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 3.5088E-06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 1.3685E-05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 2.5376E-05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 3.3747E-05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 9.6916E-05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 1.9701E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 4.5305E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 2.1296E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 3.9822E-02
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 597 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 95 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.000001
Bfactors> 11 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.026 for 199 C-alpha atoms.
Bfactors> = 143395.798 +/- ******
Bfactors> = 17.813 +/- 8.07
Bfactors> Shiftng-fct= **********
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404301838353804395 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=0
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=100
2404301838353804395.eigenfacs
2404301838353804395.atom
making animated gifs
11 models are in 2404301838353804395.7.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 2404301838353804395.7.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 2404301838353804395.7.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 2404301838353804395 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=0
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=100
2404301838353804395.eigenfacs
2404301838353804395.atom
making animated gifs
11 models are in 2404301838353804395.8.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 2404301838353804395.8.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 2404301838353804395.8.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 2404301838353804395 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=0
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=100
2404301838353804395.eigenfacs
2404301838353804395.atom
making animated gifs
11 models are in 2404301838353804395.9.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 2404301838353804395.9.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 2404301838353804395.9.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 2404301838353804395 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=0
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=100
2404301838353804395.eigenfacs
2404301838353804395.atom
making animated gifs
11 models are in 2404301838353804395.10.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 2404301838353804395.10.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 2404301838353804395.10.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 2404301838353804395 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=0
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=100
2404301838353804395.eigenfacs
2404301838353804395.atom
making animated gifs
11 models are in 2404301838353804395.11.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 2404301838353804395.11.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 2404301838353804395.11.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 2404301838353804395 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=0
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=100
2404301838353804395.eigenfacs
2404301838353804395.atom
making animated gifs
11 models are in 2404301838353804395.12.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 2404301838353804395.12.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 2404301838353804395.12.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 2404301838353804395 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=0
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=100
2404301838353804395.eigenfacs
2404301838353804395.atom
making animated gifs
11 models are in 2404301838353804395.13.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 2404301838353804395.13.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 2404301838353804395.13.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 2404301838353804395 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=0
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=100
2404301838353804395.eigenfacs
2404301838353804395.atom
making animated gifs
11 models are in 2404301838353804395.14.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 2404301838353804395.14.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 2404301838353804395.14.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 2404301838353804395 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=0
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=100
2404301838353804395.eigenfacs
2404301838353804395.atom
making animated gifs
11 models are in 2404301838353804395.15.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 2404301838353804395.15.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 2404301838353804395.15.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 2404301838353804395 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=-20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=0
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=20
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=40
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=60
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=80
2404301838353804395.eigenfacs
2404301838353804395.atom
calculating perturbed structure for DQ=100
2404301838353804395.eigenfacs
2404301838353804395.atom
making animated gifs
11 models are in 2404301838353804395.16.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 2404301838353804395.16.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 2404301838353804395.16.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
2404301838353804395.10.pdb
2404301838353804395.11.pdb
2404301838353804395.12.pdb
2404301838353804395.13.pdb
2404301838353804395.14.pdb
2404301838353804395.15.pdb
2404301838353804395.16.pdb
2404301838353804395.7.pdb
2404301838353804395.8.pdb
2404301838353804395.9.pdb
STDERR:
real 0m2.630s
user 0m2.618s
sys 0m0.012s
../../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: 2404301838353804395.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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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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