*** ***
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 = 2404250734012549507.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 2404250734012549507.atom to be opened.
Openam> File opened: 2404250734012549507.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 = 189
First residue number = 1
Last residue number = 290
Number of atoms found = 200
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 1.844630 +/- 7.586258 From: -16.942000 To: 20.028000
= -15.539160 +/- 10.316292 From: -37.068000 To: 4.885000
= 11.923825 +/- 9.344824 From: -7.801000 To: 32.625000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> 1 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 5.8392 % Filled.
Pdbmat> 10528 non-zero elements.
Pdbmat> 1037 atom-atom interactions.
Pdbmat> Number per atom= 10.37 +/- 3.38
Maximum number = 19
Minimum number = 4
Pdbmat> Matrix trace = 20740.0
Pdbmat> Larger element = 74.9138
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 200 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) = 600
Diagstd> Number of non-zero elements 10528
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 20740.0000006
%Diagstd-Wn: Nb on non-zero elements there: 600
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 600 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 20740.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0011422 0.0594506 0.0971766 0.1094016
0.1185324 0.1452462 0.1518994 0.1778278 0.2290868
0.2447234 0.3757514 0.3986029 0.4470618 0.4937294
0.5110362 0.5389621 0.5881680 0.6288920 0.7074394
0.7443944 0.7760265 0.7967282 0.8518172 0.8828006
0.9125791 0.9299676 0.9687746 1.0492219 1.1318842
1.1809179 1.2417142 1.2931372 1.3960178 1.4724138
1.5304895 1.5953154 1.6986635 1.7769854 1.8267703
1.8795344 1.9226527 2.0073881 2.0660604 2.0775287
2.2210896 2.2299707 2.3363453 2.4943023 2.5538894
2.6147105 2.7056729 2.7652486 2.8338613 3.0098659
3.0718580 3.1432879 3.2841535 3.3471891 3.4573460
3.5621646 3.6530053 3.7513699 3.8317221 3.8867944
3.9755079 4.0378479 4.1746807 4.2558747 4.3368782
4.4211439 4.5624228 4.6979930 4.8173876 4.8711065
4.9357262 5.0817064 5.1385516 5.2496691 5.3423633
5.4030221 5.4477905 5.5513402 5.6154943 5.6725889
5.8176254 6.0088029 6.1122640 6.2060615 6.2800012
6.4386533 6.4586646 6.5184548 6.7131328 6.7656910
6.8067713 6.9134023 6.9468049 7.0748565 7.1349168
7.2568516 7.2837390 7.3837362 7.5434453 7.7629092
7.7968919 7.9366792 8.1357099 8.2275010 8.3647582
8.3925970 8.4629689 8.6250671 8.7143599 8.7844724
8.8823183 8.9094983 8.9644219 9.1368120 9.2438515
9.2780024 9.5676883 9.6084696 9.7832245 9.9583392
10.0093100 10.0922187 10.2005439 10.3233287 10.3873299
10.5360630 10.6372509 10.7066288 10.8289052 10.9600071
11.0321437 11.2360131 11.2613738 11.4693966 11.5268381
11.6212531 11.7071818 11.7636586 11.8993351 12.0062759
12.0277388 12.0990629 12.2213243 12.3177953 12.4177168
12.5569537 12.6726089 12.7169384 12.8602138 13.1023934
13.2015336 13.3596368 13.4282106 13.5043539 13.7398560
13.7977567 13.9083235 14.1043611 14.1980616 14.3005773
14.3583557 14.4585961 14.5928009 14.6647055 14.8063937
14.9695929 15.1411546 15.2279578 15.3181428 15.3291044
15.4671425 15.6914313 15.7863865 15.9605716 16.0162512
16.0591113 16.1682867 16.3809624 16.4755380 16.5917712
16.7178003 16.8295070 16.9671849 17.0664789 17.1715193
17.2326073 17.3585536 17.4446242 17.5312681 17.7204295
17.7540485 17.9152510 18.0583880 18.1699649 18.4001785
18.6159458 18.7417311 18.8238984 18.9749059 19.0067703
19.0793064 19.2129645 19.3272144 19.4327363 19.7436591
19.8592198 19.8871023 20.1452141 20.2883502 20.3511231
20.4247531 20.4662941 20.5967049 20.7587594 20.7800646
20.9667160 21.1202156 21.2324230 21.2813459 21.5331422
21.6314609 21.6675289 21.7043138 21.7160196 21.9821346
22.0322874 22.1892422 22.3469120 22.4141777 22.5813784
22.7399727 22.9331137 22.9736444 23.0886505 23.2043978
23.3568253 23.4476819 23.5677865 23.6648109 23.7491570
23.8621598 23.9153567 24.0851003 24.1422123 24.2434191
24.3644929 24.4112423 24.4855388 24.6771831 24.7079736
24.7524505 24.9120440 24.9814308 25.1676717 25.4020993
25.4791851 25.5724879 25.6336874 25.7256149 25.7649975
25.8428968 25.8665794 26.1024113 26.2438971 26.4303490
26.5401042 26.5748390 26.6979247 26.8192049 26.8413585
26.9843387 27.0644167 27.1049664 27.2489514 27.3894637
27.4442587 27.6467452 27.7567313 27.8898060 27.9702185
28.0476896 28.1397348 28.2998183 28.4232119 28.4796723
28.6638683 28.8035315 28.8784262 28.9681548 29.1053732
29.2234370 29.3134422 29.4714296 29.6543529 29.7838165
29.9377536 29.9680485 30.1755113 30.2272719 30.3157265
30.4484597 30.5111981 30.8818287 30.9724851 31.0141811
31.2233186 31.3681393 31.4351025 31.5924403 31.6215042
31.7659222 31.9301494 31.9967614 32.0244699 32.1586745
32.2617756 32.5189303 32.6628074 32.7285755 32.9076908
33.0852531 33.1788841 33.4143058 33.4541329 33.5594201
33.6703992 34.0354205 34.4465443 34.4848513 34.5909948
34.7110295 34.8143147 34.9238913 35.0329961 35.1888378
35.2323306 35.3799463 35.3946773 35.5158976 35.7199222
35.8821064 35.9570291 36.1106826 36.3059760 36.4887833
36.5499023 36.8444768 36.8868950 37.1843794 37.2232136
37.3682690 37.5220551 37.6555706 37.7943696 37.8876166
37.9689282 38.0912457 38.2656802 38.3655522 38.4843042
38.8332702 39.0448503 39.3400489 39.4070741 39.4617070
39.6916167 39.7611554 39.9818554 40.0339795 40.2328988
40.6158509 40.8264094 41.1099806 41.2575158 41.4212964
41.5686803 41.7150409 41.7718183 42.0674167 42.3749496
42.5224979 42.6068589 42.7518820 42.9631123 42.9991972
43.2668412 43.4202112 43.5403582 43.8909503 44.0236514
44.2058859 44.2288884 44.3225589 44.5553948 44.6296944
44.8493009 45.0081473 45.0993635 45.2877286 45.5011803
45.7688935 45.9445001 46.1187725 46.1919606 46.3553912
46.5176660 46.7176936 46.8031118 47.1688871 47.3214402
47.3911565 47.5578335 47.9195190 47.9959572 48.1132959
48.2791592 48.5470604 48.6133287 48.7551306 48.9494689
49.3531583 49.5636421 49.7132293 49.8919630 50.0920559
50.1450101 50.3374261 50.4778854 50.8376873 51.1564212
51.1950889 51.3035756 51.5417736 51.6378599 51.8641580
51.9512820 52.0026586 52.2454995 52.5953098 52.7506779
52.8070736 52.8844148 53.2146731 53.3754063 53.5500815
53.5828630 53.9243675 54.0984803 54.4117276 54.4686552
54.6712693 54.8209398 54.8841988 55.1184371 55.1330417
55.2706971 55.7362464 55.8377247 55.8608644 56.0634290
56.2243003 56.3429166 56.6390405 56.9929628 57.2172914
57.2774268 57.3885287 57.5456742 57.5815707 58.0976017
58.3479527 58.4304107 58.4973609 58.7096620 58.8543214
59.1647635 59.7188338 59.9145466 59.9868166 60.1740499
60.4287813 60.9520546 61.1309633 61.2504451 61.4392575
61.6170797 61.9890943 62.3603885 62.4487653 62.5221091
62.5724196 62.8659348 63.3774352 63.6648574 63.8723569
64.3365240 64.4546008 64.5081897 64.7164368 64.9357068
65.3672354 65.6823735 65.8990612 66.0433922 66.1151385
66.4025366 66.5997511 67.1976700 67.4386953 67.8729879
68.1619214 68.5764022 68.7061566 68.9557993 69.3399680
69.5779155 69.6027578 69.7618327 70.2857397 70.8367450
70.9320991 71.2987701 71.5923721 71.7525006 72.5030776
72.6966706 73.2663194 73.3102836 73.4614420 74.2394191
74.3646799 74.6550082 75.1315635 75.3541666 75.7295979
75.8817968 76.2311407 76.6708145 76.8322937 77.0248610
77.4614967 77.9981935 78.3755583 78.7220388 79.6387470
79.7180077 79.8214583 80.1475021 81.1635439 81.5736898
81.9446400 82.4676586 82.7115720 83.2588613 83.4013767
83.9324600 84.9556735 85.2304836 85.4569669 85.8883242
86.5975962 86.9444908 87.3517321 87.5419200 88.4384694
88.9759225 89.8320067 90.3836568 90.9016405 91.7559000
92.5306560 92.6884551 93.6655484 94.5715751 95.5463430
96.1076286 96.4064162 97.0865940 97.6054325 98.7285528
99.0159474 100.0193481 100.8740541 102.3095324 104.5355196
105.5019200 106.5172981 106.6189677 107.5967198 115.9037710
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034254 0.0034259 0.0034333 0.0034354 0.0034370
0.0034382 3.6700320 26.4772882 33.8513605 35.9175848
37.3864154 41.3854486 42.3227006 45.7925795 51.9750954
53.7196272 66.5649459 68.5591606 72.6070985 76.3026764
77.6284849 79.7213011 83.2810084 86.1158967 91.3355604
93.6907730 95.6607021 96.9282477 100.2232517 102.0296934
103.7362507 104.7198941 106.8825143 111.2317983 115.5304017
118.0062821 121.0057755 123.4859604 128.3041673 131.7680823
134.3415802 137.1571840 141.5301489 144.7562126 146.7699860
148.8745340 150.5725137 153.8547664 156.0870180 156.5196255
161.8371879 162.1604210 165.9830721 171.5022495 173.5386941
175.5929558 178.6211692 180.5769735 182.8035304 188.3947762
190.3250041 192.5251027 196.7918030 198.6714249 201.9141243
204.9520529 207.5488972 210.3246750 212.5652571 214.0873785
216.5167942 218.2077937 221.8742550 224.0214988 226.1433867
228.3298054 231.9492874 235.3701923 238.3422719 239.6674711
241.2519385 244.7936028 246.1589560 248.8062264 250.9932184
252.4141246 253.4576931 255.8551719 257.3293217 258.6341910
261.9196962 266.1884823 268.4703524 270.5224545 272.1291997
275.5451694 275.9730335 277.2474813 281.3571133 282.4563617
283.3125795 285.5230640 286.2119944 288.8378467 290.0612652
292.5293204 293.0707447 295.0756453 298.2497940 302.5572291
303.2187392 305.9248054 309.7369425 311.4793441 314.0667616
314.5889513 315.9051110 318.9161565 320.5627282 321.8497090
323.6372084 324.1319974 325.1295368 328.2408467 330.1579508
330.7672638 335.8913261 336.6064172 339.6536536 342.6799847
343.5558523 344.9757820 346.8222455 348.9033656 349.9832355
352.4799829 354.1685400 355.3216364 357.3448738 359.5014920
360.6826356 364.0000123 364.4105709 367.7609095 368.6806777
370.1875081 371.5535895 372.4487198 374.5903868 376.2698664
376.6060351 377.7210144 379.6246586 381.1200278 382.6627219
384.8020941 386.5701319 387.2456640 389.4210064 393.0706321
394.5549288 396.9105171 397.9278646 399.0544753 402.5189868
403.3662167 404.9791575 407.8232577 409.1756764 410.6502247
411.4789600 412.9127970 414.8247007 415.8454490 417.8495391
420.1460404 422.5467615 423.7562460 425.0092064 425.1612455
427.0712378 430.1565692 431.4561322 433.8299194 434.5859840
435.1670797 436.6437832 439.5061815 440.7731010 442.3251717
444.0019188 445.4828377 447.3013164 448.6082379 449.9866623
450.7863699 452.4306809 453.5509594 454.6759107 457.1222937
457.5557113 459.6282655 461.4607526 462.8841658 465.8073088
468.5304630 470.1106955 471.1400947 473.0260909 473.4230982
474.3256070 475.9841268 477.3972500 478.6987125 482.5130925
483.9231200 484.2627172 487.3951734 489.1236328 489.8797315
490.7651187 491.2639380 492.8266148 494.7615920 495.0154187
497.2336211 499.0504522 500.3743735 500.9505128 503.9053676
505.0544546 505.4753400 505.9042291 506.0406356 509.1317860
509.7122536 511.5245891 513.3387395 514.1107513 516.0247169
517.8336278 520.0280774 520.4874088 521.7885619 523.0948348
524.8101021 525.8298506 527.1748438 528.2588717 529.1994443
530.4569642 531.0479193 532.9291916 533.5606740 534.6778768
536.0113290 536.5253180 537.3411652 539.4399072 539.7763403
540.2619489 542.0008427 542.7551268 544.7745371 547.3058431
548.1356477 549.1383453 549.7950464 550.7800012 551.2014263
552.0340630 552.2869494 554.7989039 556.3004910 558.2731348
559.4310817 559.7970450 561.0919422 562.3649298 562.5971489
564.0935969 564.9299712 565.3530210 566.8526451 568.3122854
568.8804811 570.9752525 572.1098706 573.4796699 574.3058098
575.1006074 576.0435003 577.6796966 578.9377339 579.5124550
581.3834705 582.7981301 583.5553308 584.4612146 585.8438386
587.0308514 587.9341544 589.5163867 591.3430620 592.6324854
594.1620168 594.4625655 596.5166899 597.0280780 597.9009866
599.2084707 599.8254817 603.4576328 604.3427361 604.7493903
606.7849640 608.1905375 608.8393602 610.3611277 610.6418190
612.0346562 613.6147008 614.2544216 614.5203303 615.8066157
616.7929671 619.2462794 620.6146678 621.2391712 622.9367952
624.6151459 625.4983496 627.7135474 628.0875276 629.0751128
630.1144124 633.5207444 637.3355012 637.6897838 638.6704261
639.7775954 640.7287414 641.7362827 642.7379163 644.1659161
644.5638824 645.9127609 646.0472149 647.1525669 649.0087204
650.4804445 651.1591998 652.5490016 654.3111764 655.9563961
656.5055332 659.1457821 659.5251021 662.1792218 662.5249113
663.8145546 665.1790901 666.3614992 667.5884793 668.4115150
669.1283788 670.2053157 671.7381272 672.6141612 673.6543210
676.7016922 678.5426668 681.1028973 681.6828622 682.1552316
684.1395137 684.7385492 686.6362887 687.0837246 688.7885871
692.0589005 693.8504489 696.2559448 697.5041850 698.8872600
700.1295350 701.3610068 701.8381478 704.3170499 706.8868090
708.1164188 708.8184921 710.0237884 711.7756843 712.0745332
714.2872122 715.5520764 716.5413854 719.4204391 720.5071761
721.9968945 722.1847154 722.9490529 724.8454688 725.4495855
727.2322317 728.5189426 729.2567982 730.7781439 732.4982834
734.6500067 736.0580142 737.4526661 738.0375833 739.3420467
740.6350114 742.2256816 742.9039110 745.8012295 747.0062872
747.5563482 748.8697906 751.7120386 752.3113415 753.2303914
754.5275978 756.6181399 757.1343677 758.2378194 759.7474870
762.8738976 764.4989381 765.6517293 767.0268666 768.5634173
768.9695482 770.4434777 771.5176340 774.2624064 776.6857868
776.9792688 777.8020753 779.6056173 780.3319653 782.0399626
782.6965419 783.0834653 784.9097483 787.5330508 788.6953913
789.1168749 789.6945336 792.1564811 793.3519200 794.6490130
794.8922041 797.4212600 798.7075928 801.0166399 801.4355570
802.9247753 804.0230852 804.4868405 806.2017334 806.3085351
807.3144974 810.7074033 811.4450903 811.6132080 813.0834268
814.2491429 815.1076001 817.2467914 819.7961938 821.4079987
821.8395355 822.6362171 823.7617484 824.0186359 827.7027206
829.4841489 830.0700605 830.5454762 832.0512366 833.0756844
835.2699292 839.1719123 840.5458707 841.0526584 842.3642001
844.1452831 847.7922750 849.0355989 849.8649230 851.1738241
852.4047004 854.9740351 857.5307187 858.1381472 858.6419257
858.9873237 860.9996383 864.4952478 866.4533112 867.8641550
871.0118765 871.8107940 872.1731395 873.5797916 875.0584569
877.9612313 880.0750301 881.5255294 882.4903526 882.9695691
884.8865935 886.1996685 890.1688392 891.7638441 894.6306319
896.5328190 899.2545182 900.1048620 901.7386379 904.2470461
905.7972276 905.9589170 906.9935963 910.3929589 913.9545068
914.5694417 916.9302476 918.8162269 919.8431971 924.6417545
925.8753909 929.4958769 929.7747119 930.7327693 935.6481491
936.4371545 938.2633537 941.2532607 942.6466223 944.9919431
945.9410732 948.1160302 950.8462953 951.8470747 953.0391509
955.7366099 959.0418350 961.3590170 963.4816483 969.0752221
969.5573399 970.1862364 972.1656591 978.3083969 980.7771381
983.0046132 986.1366787 987.5939432 990.8559318 991.7036006
994.8560752 1000.9018080 1002.5193330 1003.8504487 1006.3808053
1010.5276446 1012.5496188 1014.9182007 1016.0224728 1021.2119520
1024.3102771 1029.2261949 1032.3815495 1035.3355843 1040.1890554
1044.5713278 1045.4616391 1050.9576610 1056.0283842 1061.4567787
1064.5699694 1066.2234986 1069.9781597 1072.8333742 1078.9881269
1080.5574301 1086.0186665 1090.6490313 1098.3818051 1110.2664626
1115.3867006 1120.7412352 1121.2759750 1126.4055874 1169.0795492
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404250734012549507.eigenfacs
Openam> file on opening on unit 10:
2404250734012549507.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404250734012549507.atom
Openam> file on opening on unit 11:
2404250734012549507.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 = 189
First residue number = 1
Last residue number = 290
Number of atoms found = 200
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: 9.9499E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9530E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9961E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0018E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0025E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.1422E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.9451E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7177E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1094
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1185
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1519
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1778
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2291
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2447
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3758
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3986
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4937
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5110
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5390
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5882
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6289
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7074
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7760
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7967
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8518
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8828
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9300
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9688
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.049
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.181
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.242
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.293
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.396
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.472
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.530
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.595
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.699
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.777
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.827
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.880
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.923
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 2.007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 2.066
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.078
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.230
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.336
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.494
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.554
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.615
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.706
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.765
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.834
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 3.010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 3.072
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.143
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.284
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.347
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.457
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.562
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.653
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.751
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.832
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.887
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.976
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 4.038
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 4.175
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.256
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.337
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.421
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.562
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.698
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.817
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.936
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 5.082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 5.139
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 5.250
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 5.342
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.403
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.448
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.551
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.615
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.673
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.818
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 6.009
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 6.112
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 6.206
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 6.280
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.439
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.459
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.518
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.713
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.766
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.807
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.913
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.947
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 7.075
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 7.135
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 7.257
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 600 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 : 0.001142
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= 0.067 for 199 C-alpha atoms.
Bfactors> = 77.990 +/- 516.99
Bfactors> = 21.485 +/- 10.57
Bfactors> Shiftng-fct= -56.505
Bfactors> Scaling-fct= 0.020
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404250734012549507 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=0
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=100
2404250734012549507.eigenfacs
2404250734012549507.atom
making animated gifs
11 models are in 2404250734012549507.7.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 2404250734012549507.7.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 2404250734012549507.7.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 2404250734012549507 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=0
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=100
2404250734012549507.eigenfacs
2404250734012549507.atom
making animated gifs
11 models are in 2404250734012549507.8.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 2404250734012549507.8.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 2404250734012549507.8.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 2404250734012549507 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=0
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=100
2404250734012549507.eigenfacs
2404250734012549507.atom
making animated gifs
11 models are in 2404250734012549507.9.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 2404250734012549507.9.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 2404250734012549507.9.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 2404250734012549507 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=0
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=100
2404250734012549507.eigenfacs
2404250734012549507.atom
making animated gifs
11 models are in 2404250734012549507.10.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 2404250734012549507.10.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 2404250734012549507.10.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 2404250734012549507 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=0
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=100
2404250734012549507.eigenfacs
2404250734012549507.atom
making animated gifs
11 models are in 2404250734012549507.11.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 2404250734012549507.11.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 2404250734012549507.11.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 2404250734012549507 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=0
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=100
2404250734012549507.eigenfacs
2404250734012549507.atom
making animated gifs
11 models are in 2404250734012549507.12.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 2404250734012549507.12.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 2404250734012549507.12.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 2404250734012549507 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=0
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=100
2404250734012549507.eigenfacs
2404250734012549507.atom
making animated gifs
11 models are in 2404250734012549507.13.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 2404250734012549507.13.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 2404250734012549507.13.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 2404250734012549507 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=0
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=100
2404250734012549507.eigenfacs
2404250734012549507.atom
making animated gifs
11 models are in 2404250734012549507.14.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 2404250734012549507.14.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 2404250734012549507.14.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 2404250734012549507 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=0
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=100
2404250734012549507.eigenfacs
2404250734012549507.atom
making animated gifs
11 models are in 2404250734012549507.15.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 2404250734012549507.15.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 2404250734012549507.15.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 2404250734012549507 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=-20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=0
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=20
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=40
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=60
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=80
2404250734012549507.eigenfacs
2404250734012549507.atom
calculating perturbed structure for DQ=100
2404250734012549507.eigenfacs
2404250734012549507.atom
making animated gifs
11 models are in 2404250734012549507.16.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 2404250734012549507.16.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 2404250734012549507.16.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
2404250734012549507.10.pdb
2404250734012549507.11.pdb
2404250734012549507.12.pdb
2404250734012549507.13.pdb
2404250734012549507.14.pdb
2404250734012549507.15.pdb
2404250734012549507.16.pdb
2404250734012549507.7.pdb
2404250734012549507.8.pdb
2404250734012549507.9.pdb
STDERR:
real 0m2.998s
user 0m2.986s
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: 2404250734012549507.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
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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
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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