*** ***
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 = 240415135045405181.atom
Pdbmat> Distance cutoff = 8.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 240415135045405181.atom to be opened.
Openam> File opened: 240415135045405181.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 194
First residue number = 97
Last residue number = 302
Number of atoms found = 204
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 5.813848 +/- 8.972357 From: -14.989000 To: 24.995000
= -10.618348 +/- 8.192499 From: -31.765000 To: 9.305000
= -31.968304 +/- 10.414189 From: -50.397000 To: -10.059000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> residue:'ACT ' is not a well known amino-acid.
%Pdbmat-W> 2 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 5.7624 % Filled.
Pdbmat> 10809 non-zero elements.
Pdbmat> 1065 atom-atom interactions.
Pdbmat> Number per atom= 10.44 +/- 3.43
Maximum number = 20
Minimum number = 4
Pdbmat> Matrix trace = 21300.0
Pdbmat> Larger element = 78.0085
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 204 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) = 612
Diagstd> Number of non-zero elements 10809
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 21300.0000006
%Diagstd-Wn: Nb on non-zero elements there: 612
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 612 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 21300.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0015391 0.0680865 0.0779521 0.1221243
0.1612514 0.2086284 0.2203080 0.2483404 0.2763558
0.2980364 0.3415936 0.3907373 0.4125964 0.4460991
0.4687567 0.5147066 0.5945680 0.6362256 0.7198350
0.7916925 0.8193600 0.8700685 0.9269684 0.9624294
0.9772632 1.0528202 1.1069868 1.1542281 1.2559606
1.3240703 1.3568405 1.4000345 1.4831655 1.5988896
1.6173823 1.6939985 1.7507355 1.7802977 1.9144829
1.9493732 2.0349481 2.1044872 2.1372041 2.2102399
2.2878381 2.3337214 2.4995131 2.5555323 2.5767470
2.6364991 2.6876102 2.8111839 2.9254574 2.9742270
3.1501288 3.2267180 3.2571111 3.2737701 3.4193170
3.4823313 3.6165136 3.7214006 3.7635633 3.8535657
3.8966762 4.0262117 4.0884538 4.1431606 4.2705712
4.3676958 4.5372221 4.5941806 4.6890359 4.7317159
4.8404378 4.9047403 5.0390931 5.1428197 5.3022492
5.3597146 5.4715013 5.4993673 5.6016819 5.7741051
5.8595839 5.9043627 5.9865223 6.1102736 6.1367173
6.2173273 6.3058668 6.4174474 6.6287920 6.6895346
6.8274499 6.8910286 6.9094335 6.9563954 7.0407264
7.1240590 7.2668667 7.3868038 7.5235173 7.5978668
7.7431317 7.7780272 7.9800257 8.0648436 8.0733269
8.2224684 8.4502575 8.4604362 8.5382795 8.6430332
8.8016384 8.8660842 8.8733944 9.1116972 9.2159989
9.2200064 9.3328246 9.3576284 9.3897048 9.6985863
9.8227207 9.8338213 9.9945942 10.0590839 10.3037651
10.3704929 10.4121077 10.6140598 10.7504091 10.7601518
10.9330998 11.0037584 11.2104370 11.2704283 11.4426887
11.5558078 11.5797964 11.6186719 11.7094821 11.7608970
11.9005905 12.0650482 12.1221252 12.2251349 12.2610457
12.2751368 12.4872581 12.6398159 12.9421361 13.0326149
13.0703836 13.3103698 13.3423479 13.4523663 13.5237893
13.6514921 13.7707614 13.8974952 13.9993846 14.0700521
14.1428015 14.2761835 14.3774897 14.4359503 14.5181161
14.7445023 14.8483537 14.9471523 15.1697213 15.2191340
15.2867751 15.3729097 15.4718596 15.5171118 15.6424123
15.7953562 15.8090112 16.0586421 16.1358545 16.2652184
16.3277505 16.3659090 16.5080035 16.5885607 16.6418078
16.6478017 16.8491098 16.8819124 17.0717690 17.2101789
17.2404706 17.4867788 17.5623940 17.6553205 17.8700116
17.9231180 18.0370150 18.2262828 18.4247698 18.5787298
18.6286136 18.6721155 18.8299858 18.9227383 19.0392922
19.1460845 19.2702805 19.4792893 19.5433350 19.6769736
19.6912136 19.8750138 20.0694230 20.2039484 20.2066319
20.2235030 20.4255449 20.5515567 20.5860148 20.7369065
20.8257433 21.0158330 21.0723151 21.1518127 21.2575775
21.4200878 21.5803387 21.7473720 21.8572131 21.9110385
21.9933631 22.0517631 22.1500783 22.2196702 22.3679646
22.3815190 22.5013026 22.5503050 22.7371171 22.8449250
23.0912586 23.1611551 23.3398039 23.4786155 23.6548808
23.7285720 23.7969703 23.9301019 23.9678638 24.0242607
24.1518023 24.2969841 24.4536687 24.6058613 24.6767389
24.8119958 24.9277877 25.0967334 25.1360235 25.2864157
25.3812216 25.4213995 25.6494167 25.7135419 25.7977064
25.8409204 25.9471197 26.0287434 26.1021598 26.1144049
26.4905945 26.5183623 26.6518993 26.6991733 26.8168206
26.8770762 27.0630884 27.1009044 27.1741969 27.2131389
27.3765518 27.4785968 27.6820735 27.7558104 27.7721548
27.9535383 28.1423357 28.1848154 28.2441731 28.3096784
28.6438974 28.6898564 28.7326285 28.8754991 28.9550777
29.2939830 29.3720939 29.5792185 29.6173345 29.7034455
29.8381484 30.0673968 30.1627332 30.3189971 30.4239159
30.5809741 30.6333649 30.7340357 30.8624674 30.9358406
30.9415313 31.1266497 31.1425219 31.2402247 31.4631054
31.6304950 31.6679920 31.7661402 32.1113465 32.2149762
32.2509050 32.3610049 32.5551039 32.6480685 32.6803355
32.8605190 33.2067064 33.3308838 33.5290154 33.7413158
33.9933093 34.1956659 34.2619535 34.4823738 34.5331625
34.6521339 34.8998142 34.9936616 35.2404081 35.2607453
35.4766233 35.9040629 35.9609350 36.0206945 36.1285155
36.1746616 36.3996076 36.5243659 36.8252766 37.0687668
37.2022462 37.3247320 37.4381225 37.6742382 37.7755011
37.9502882 38.0161823 38.3372178 38.3893372 38.4362868
38.7407389 38.8707197 39.0531654 39.2643651 39.4609110
39.5207109 39.9245478 40.0718788 40.2653564 40.3227512
40.4896556 40.5685128 40.6689343 40.7395232 40.9072721
40.9538615 41.1371299 41.2523328 41.7683423 41.9578432
42.0002798 42.1980407 42.3454206 42.5295775 42.5860090
42.7169256 42.8751341 42.9209242 43.1528303 43.2204204
43.4220031 43.5367762 43.7063099 43.9590745 44.3234691
44.4172231 44.4492515 44.6455397 44.9919300 45.0733037
45.3759418 45.4414268 45.6065105 45.8935449 46.0602878
46.2272771 46.6162659 46.7696718 46.7760988 46.8793729
46.9069253 46.9979539 47.2725254 47.3732455 47.4973436
47.7891240 47.9058047 48.1576894 48.1885879 48.3764592
48.4651615 48.6882665 48.8094172 49.0296422 49.2122291
49.4994777 49.7188966 49.8573415 49.9284877 50.1153818
50.1379999 50.1569761 50.3575742 50.5442905 50.6394610
50.7764775 50.8741605 50.9920725 51.3699545 51.5382990
51.6985896 51.7546733 52.1135770 52.4565529 52.6364238
52.9089723 53.0772043 53.3863302 53.4278404 53.6165241
53.7045668 53.9192236 54.0002819 54.4004732 54.5187254
54.6830948 54.7718534 54.9568709 55.0200489 55.5291828
55.6782940 55.9746393 56.0760326 56.3116770 56.6883944
56.7511448 56.9384490 56.9680211 57.1263390 57.2012380
57.4229086 57.5927981 57.7448835 58.0145022 58.1739630
58.2394639 58.5193913 58.7261171 58.9630328 59.1983582
59.4054896 59.4265518 59.7828738 60.0172125 60.1021663
60.1712170 60.6309369 60.8256175 61.0065759 61.0293576
61.3541069 61.6389904 61.8472923 62.0931633 62.2187417
62.2574861 62.4599514 62.9609412 63.1804003 63.3451967
63.4297063 63.5459336 63.7075527 63.9693549 64.2855575
64.4646683 64.5620169 64.6829855 64.8929898 65.4096020
65.5413286 65.6534045 65.8081185 66.2632759 66.5621889
66.6195838 67.1164797 67.4562270 67.5652261 67.7177297
67.8954454 68.2156817 68.5833956 68.8759721 69.5605036
69.7326173 69.9320418 70.6278234 70.7704755 71.0248809
71.2997315 71.4031350 71.4600034 71.9570616 72.2883171
72.5085611 72.6741205 72.8159993 72.8904343 73.4804871
73.9348725 74.1135244 74.3033116 74.7068159 75.0959176
75.4557143 75.9758847 76.2691822 76.6612999 77.5793902
77.7801048 78.0461329 78.6275486 79.0434392 79.3555524
79.9869527 80.0793575 80.3501921 80.5260431 81.1320758
81.1990397 81.6414720 82.0321347 82.4796478 82.6455027
83.0490162 83.3073724 83.8265532 84.5224767 85.0589587
85.5852241 85.9965918 86.1430664 86.4133336 87.1485609
88.4827880 88.7596047 89.2866218 89.5503641 89.8142849
90.0303866 90.4468029 91.5080011 92.5689409 93.0428012
93.2455793 93.9187693 94.6243909 96.1844361 96.4430802
96.7293596 97.5791492 98.4774215 100.3012872 101.1244922
102.4545579 103.0040171 104.0079928 105.8731421 108.0097226
110.1402949 113.4308347
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034275 0.0034299 0.0034312 0.0034345 0.0034348
0.0034435 4.2601774 28.3351642 30.3186010 37.9486525
43.6060738 49.6000411 50.9695023 54.1151607 57.0859971
59.2829627 63.4673156 67.8793529 69.7522118 72.5288761
74.3479528 77.9067618 83.7328857 86.6165462 92.1322654
96.6214470 98.2952768 101.2912660 104.5508900 106.5319094
107.3497553 111.4223687 114.2527088 116.6651394 121.6979581
124.9541854 126.4910169 128.4886140 132.2482968 137.3107451
138.1025280 141.3356735 143.6830552 144.8910611 150.2522646
151.6152126 154.9073221 157.5318680 158.7516612 161.4414266
164.2509640 165.8898387 171.6812984 173.5945034 174.3135605
176.3230528 178.0239464 182.0706348 185.7343234 187.2760901
192.7344900 195.0633981 195.9799161 196.4804607 200.8005786
202.6424023 206.5096400 209.4828597 210.6662156 213.1702835
214.3593551 217.8931541 219.5709222 221.0350604 224.4079627
226.9454447 231.3078118 232.7551574 235.1457092 236.2134438
238.9118002 240.4934706 243.7650693 246.2611648 250.0491296
251.4004867 254.0086650 254.6546698 257.0126521 260.9381769
262.8625201 263.8650042 265.6945119 268.4266369 269.0068497
270.7678813 272.6890362 275.0910368 279.5841048 280.8621596
283.7425972 285.0606737 285.4410958 286.4094940 288.1403077
289.8404756 292.7311093 295.1369338 297.8555818 299.3237088
302.1715724 302.8516943 306.7590796 308.3850058 308.5471566
311.3840676 315.6677767 315.8578371 317.3075918 319.2481374
322.1640243 323.3413197 323.4745922 327.7894100 329.6601772
329.7318436 331.7430491 332.1835924 332.7524410 338.1812284
340.3385765 340.5308295 343.3032083 344.4090033 348.5726071
349.6994748 350.4004105 353.7822553 356.0473651 356.2086649
359.0599254 360.2183258 363.5854968 364.5570402 367.3324717
369.1436784 369.5266303 370.1463960 371.5900897 372.4050008
374.6101464 377.1896887 378.0808348 379.6838378 380.2410809
380.4595151 383.7327129 386.0696435 390.6593848 392.0225614
392.5901937 396.1779866 396.6536102 398.2856160 399.3415300
401.2225564 402.9714305 404.8214790 406.3027420 407.3269384
408.3786261 410.2998345 411.7530382 412.5893084 413.7618196
416.9753094 418.4411936 419.8310066 422.9451815 423.6334563
424.5738265 425.7682945 427.1363553 427.7605453 429.4841532
431.5786903 431.7651980 435.1607238 436.2056277 437.9507044
438.7917539 439.3041912 441.2071654 442.2823749 442.9916404
443.0714107 445.7422080 446.1758935 448.6777601 450.4929232
450.8892051 454.0986269 455.0793590 456.2817340 459.0475756
459.7291721 461.1875905 463.6009660 466.1184732 468.0618984
468.6898493 469.2367762 471.2162687 472.3753987 473.8279548
475.1549585 476.6935752 479.2717540 480.0590027 481.6975441
481.8718117 484.1155127 486.4774610 488.1051674 488.1375816
488.3413192 490.7746322 492.2861774 492.6987044 494.5011034
495.5591910 497.8156943 498.4842100 499.4236175 500.6706874
502.5808123 504.4572975 506.4058007 507.6830617 508.3077846
509.2618021 509.9374864 511.0729715 511.8751952 513.5804861
513.7360703 515.1089678 515.6695533 517.8011130 519.0272365
521.8180323 522.6071986 524.6188384 526.1765899 528.1480278
528.9700486 529.7318853 531.2116047 531.6305675 532.2556699
533.6666363 535.2682273 536.9913526 538.6598003 539.4350518
540.9113943 542.1720798 544.0062374 544.4319040 546.0581795
547.0808849 547.5137216 549.9637018 550.6507454 551.5511928
552.0129536 553.1461038 554.0154560 554.7962314 554.9263500
558.9090380 559.2018893 560.6080919 561.1050633 562.3399319
562.9713467 564.9161077 565.3106571 566.0745623 566.4800232
568.1783128 569.2362597 571.3399450 572.1003803 572.2688004
574.1345391 576.0701205 576.5047332 577.1114790 577.7803240
581.1809028 581.6469666 582.0803772 583.5257563 584.3292779
587.7389777 588.5220434 590.5934527 590.9738515 591.8323428
593.1727821 595.4471146 596.3903763 597.9332380 598.9669184
600.5109595 601.0251321 602.0119000 603.2684355 603.9851218
604.0406714 605.8449179 605.9993659 606.9492162 609.1104818
610.7286225 611.0905164 612.0367562 615.3533066 616.3454404
616.6890446 617.7407912 619.5906037 620.4746273 620.7811673
622.4901580 625.7605515 626.9294847 628.7900780 630.7776363
633.1287032 635.0103633 635.6255422 637.6668761 638.1363096
639.2345974 641.5150326 642.3769875 644.6377660 644.8237489
646.7946491 650.6794313 651.1945658 651.7354154 652.7101084
653.1268215 655.1543530 656.2761511 658.9740142 661.1490061
662.3382884 663.4277442 664.4347079 666.5266515 667.4218148
668.9641111 669.5446300 672.3657408 672.8226249 673.2339254
675.8949948 677.0279076 678.6149154 680.4474171 682.1483513
682.6650267 686.1440205 687.4088714 689.0663689 689.5572964
690.9829350 691.6554825 692.5110006 693.1117341 694.5372453
694.9326379 696.4858128 697.4603715 701.8089463 703.3991804
703.7548037 705.4096939 706.6404691 708.1753637 708.6450389
709.7334504 711.0465376 711.4261303 713.3454951 713.9039318
715.5668404 716.5119102 717.9056160 719.9785375 722.9564758
723.7206794 723.9815625 725.5783558 728.3876808 729.0460747
731.4895162 732.0171562 733.3456201 735.6497346 736.9849240
738.3196669 741.4195292 742.6384678 742.6894923 743.5089097
743.7273687 744.4486654 746.6201078 747.4150694 748.3933867
750.6885904 751.6044629 753.5778085 753.8195222 755.2875386
755.9796628 757.7177067 758.6598335 760.3694198 761.7839158
764.0039229 765.6953706 766.7606887 767.3075756 768.7423413
768.9157960 769.0612916 770.5976514 772.0249438 772.7514302
773.7961509 774.5401016 775.4371648 778.3050904 779.5793392
780.7906932 781.2140871 783.9181543 786.4935305 787.8407999
789.8778639 791.1326355 793.4331003 793.7415052 795.1418429
795.7944192 797.3832258 797.9823649 800.9337954 801.8038316
803.0116078 803.6630458 805.0192743 805.4818639 809.2000882
810.2858228 812.4393164 813.1748160 814.8815983 817.6027783
818.0551700 819.4040320 819.6167913 820.7548856 821.2927599
822.8825896 824.0989666 825.1863493 827.1105592 828.2464929
828.7126428 830.7018552 832.1678316 833.8447277 835.5070358
836.9674530 837.1158130 839.6217384 841.2657161 841.8609076
842.3443707 845.5560860 846.9125014 848.1713631 848.3297149
850.5837853 852.5562426 853.9955855 855.6914114 856.5562575
856.8229104 858.2150005 861.6499876 863.1503818 864.2753462
864.8516742 865.6436797 866.7437953 868.5228841 870.6668062
871.8788779 872.5369449 873.3539899 874.7705871 878.2457027
879.1295957 879.8809319 880.9170534 883.9582056 885.9497256
886.3316093 889.6309118 891.8797500 892.6000310 893.6068209
894.7786257 896.8863038 899.3003697 901.2165346 905.6838821
906.8036581 908.0993911 912.6057308 913.5268935 915.1673914
916.9364294 917.6010888 917.9664242 921.1534656 923.2713040
924.6767196 925.7317791 926.6349728 927.1084710 930.8534091
933.7270582 934.8544795 936.0506845 938.5888564 941.0299467
943.2815663 946.5273410 948.3525694 950.7872949 956.4636316
957.7001208 959.3365139 962.9032401 965.4464599 967.3506769
971.1914624 971.7522844 973.3941682 974.4587507 978.1187271
978.5222987 981.1845328 983.5292648 986.2083591 987.1994237
989.6064705 991.1445527 994.2282172 998.3467016 1001.5100488
1004.6034759 1007.0149082 1007.8721477 1009.4519700 1013.7372157
1021.4677966 1023.0643702 1026.0971374 1027.6115060 1029.1246685
1030.3620104 1032.7421208 1038.7829546 1044.7874032 1047.4581222
1048.5989196 1052.3773125 1056.3232253 1064.9952774 1066.4262253
1068.0078297 1072.6889178 1077.6149666 1087.5482493 1092.0020587
1099.1600169 1102.1034487 1107.4615016 1117.3472933 1128.5653330
1139.6418730 1156.5404961
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240415135045405181.eigenfacs
Openam> file on opening on unit 10:
240415135045405181.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240415135045405181.atom
Openam> file on opening on unit 11:
240415135045405181.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 194
First residue number = 97
Last residue number = 302
Number of atoms found = 204
Mean number per residue = 1.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9621E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9766E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9837E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0056E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.5391E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 6.8086E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 7.7952E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2086
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2203
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2483
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2764
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2980
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3416
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3907
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4688
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5147
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5946
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7198
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8701
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9270
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9624
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9773
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.053
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.107
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.154
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.256
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.324
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.357
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.400
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.483
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.599
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.617
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.694
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.751
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.780
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.914
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 2.035
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 2.104
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 2.137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.210
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.288
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.334
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.500
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.556
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.577
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.636
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.688
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.811
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.925
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.974
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 3.150
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.227
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.257
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.274
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.482
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.617
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.721
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.764
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.854
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.897
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 4.026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 4.088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.143
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.271
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.537
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.594
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.689
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.732
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.840
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.905
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 5.039
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 5.143
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 5.302
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.360
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.472
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.499
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.602
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.774
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.860
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.904
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.987
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 6.110
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 6.137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.217
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.306
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.417
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.629
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.690
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.827
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.891
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.909
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.956
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 7.041
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 7.124
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 612 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.001539
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.159 for 199 C-alpha atoms.
Bfactors> = 59.331 +/- 479.33
Bfactors> = 16.015 +/- 6.67
Bfactors> Shiftng-fct= -43.316
Bfactors> Scaling-fct= 0.014
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240415135045405181 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=0
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=100
240415135045405181.eigenfacs
240415135045405181.atom
making animated gifs
11 models are in 240415135045405181.7.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 240415135045405181.7.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 240415135045405181.7.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 240415135045405181 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=0
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=100
240415135045405181.eigenfacs
240415135045405181.atom
making animated gifs
11 models are in 240415135045405181.8.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 240415135045405181.8.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 240415135045405181.8.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 240415135045405181 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=0
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=100
240415135045405181.eigenfacs
240415135045405181.atom
making animated gifs
11 models are in 240415135045405181.9.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 240415135045405181.9.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 240415135045405181.9.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 240415135045405181 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=0
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=100
240415135045405181.eigenfacs
240415135045405181.atom
making animated gifs
11 models are in 240415135045405181.10.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 240415135045405181.10.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 240415135045405181.10.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 240415135045405181 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=0
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=100
240415135045405181.eigenfacs
240415135045405181.atom
making animated gifs
11 models are in 240415135045405181.11.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 240415135045405181.11.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 240415135045405181.11.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 240415135045405181 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=0
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=100
240415135045405181.eigenfacs
240415135045405181.atom
making animated gifs
11 models are in 240415135045405181.12.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 240415135045405181.12.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 240415135045405181.12.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 240415135045405181 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=0
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=100
240415135045405181.eigenfacs
240415135045405181.atom
making animated gifs
11 models are in 240415135045405181.13.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 240415135045405181.13.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 240415135045405181.13.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 240415135045405181 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=0
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=100
240415135045405181.eigenfacs
240415135045405181.atom
making animated gifs
11 models are in 240415135045405181.14.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 240415135045405181.14.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 240415135045405181.14.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 240415135045405181 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=0
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=100
240415135045405181.eigenfacs
240415135045405181.atom
making animated gifs
11 models are in 240415135045405181.15.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 240415135045405181.15.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 240415135045405181.15.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 240415135045405181 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=-20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=0
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=20
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=40
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=60
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=80
240415135045405181.eigenfacs
240415135045405181.atom
calculating perturbed structure for DQ=100
240415135045405181.eigenfacs
240415135045405181.atom
making animated gifs
11 models are in 240415135045405181.16.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 240415135045405181.16.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 240415135045405181.16.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
240415135045405181.10.pdb
240415135045405181.11.pdb
240415135045405181.12.pdb
240415135045405181.13.pdb
240415135045405181.14.pdb
240415135045405181.15.pdb
240415135045405181.16.pdb
240415135045405181.7.pdb
240415135045405181.8.pdb
240415135045405181.9.pdb
STDERR:
real 0m3.309s
user 0m3.293s
sys 0m0.016s
../../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: 240415135045405181.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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