*** ***
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 = 2402172323063225092.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 2402172323063225092.atom to be opened.
Openam> File opened: 2402172323063225092.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 = 94
Last residue number = 288
Number of atoms found = 197
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.454858 +/- 10.400078 From: -21.607000 To: 20.709000
= 0.126360 +/- 9.168698 From: -20.850000 To: 18.951000
= 3.082792 +/- 8.136596 From: -13.571000 To: 18.687000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 5.5683 % Filled.
Pdbmat> 9741 non-zero elements.
Pdbmat> 951 atom-atom interactions.
Pdbmat> Number per atom= 9.65 +/- 3.26
Maximum number = 19
Minimum number = 4
Pdbmat> Matrix trace = 19020.0
Pdbmat> Larger element = 76.0156
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 197 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 591
Diagstd> Number of non-zero elements 9741
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 19020.0000006
%Diagstd-Wn: Nb on non-zero elements there: 591
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 591 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 19020.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0239812 0.0534550 0.0689829 0.0913230
0.1080941 0.1423115 0.1806153 0.2005408 0.2127731
0.2466470 0.2926501 0.3035745 0.3072941 0.3380798
0.3646437 0.4619750 0.4843728 0.5149387 0.5633031
0.6590155 0.6771562 0.7156184 0.7372056 0.8395420
0.8557504 0.8970081 0.9695069 1.0072459 1.0549539
1.0867304 1.1192776 1.2412791 1.2901627 1.3470775
1.3765014 1.3923663 1.4521593 1.5108429 1.5292189
1.5896509 1.6170267 1.7012488 1.7436807 1.8053246
1.8806835 1.9495512 2.0143551 2.0567058 2.1324779
2.2730420 2.3155992 2.4607576 2.4908846 2.6031888
2.7040614 2.7713447 2.8136196 2.8703728 2.9396916
2.9569862 3.1315778 3.1645260 3.2515916 3.3114199
3.3567053 3.3712771 3.4554119 3.5059923 3.5702703
3.6839743 3.8419003 3.9487088 4.0055427 4.0664096
4.1435553 4.1752878 4.2148315 4.2894597 4.3832222
4.4355500 4.5771834 4.6179046 4.7487966 4.7611143
4.8753333 4.9567064 5.0850693 5.1784103 5.2818738
5.2964078 5.4041931 5.4362884 5.5631117 5.6593061
5.7949303 5.8627710 5.9801454 6.0137095 6.0696956
6.1287733 6.2634698 6.2883917 6.4407358 6.5638153
6.5978401 6.6286167 6.7678859 6.8448217 6.8623294
6.9660920 7.0781341 7.1140990 7.1367651 7.2994420
7.4003163 7.6948183 7.7801130 7.8712616 8.0080765
8.2428766 8.3653717 8.3929888 8.5107421 8.6736302
8.7448109 8.7918894 8.8367344 8.9684578 9.0901276
9.2319181 9.2675973 9.4414415 9.5769601 9.6065763
9.6442673 9.7473270 9.8533875 9.9910060 10.0959061
10.1519140 10.4171167 10.5808199 10.6527596 10.7823853
10.8898276 10.9403155 11.0110499 11.0706182 11.1795715
11.2559124 11.4054925 11.6048681 11.7459774 11.8468504
11.9459363 12.0365344 12.0794605 12.1322644 12.3160667
12.4576151 12.6391450 12.9144031 12.9522199 13.0125180
13.2538235 13.2963551 13.3837491 13.4681507 13.5590637
13.5897898 13.7819452 13.8444867 13.8640070 14.0186191
14.1228337 14.2940484 14.4591754 14.5430160 14.6727600
14.7177434 14.8889249 14.9784947 15.1079032 15.2895152
15.3685269 15.4625521 15.6251680 15.8175044 15.9415412
16.0702959 16.1942445 16.2809357 16.3664059 16.4049565
16.5552062 16.6845628 16.7143858 16.8150088 16.9445335
16.9588421 17.0303965 17.2350321 17.3140119 17.4353810
17.5761016 17.6748115 17.7448401 17.7668025 17.8761421
17.9567264 18.0711771 18.3061391 18.4938800 18.5889196
18.6093219 18.8057474 18.9285044 19.0135506 19.1413125
19.2892626 19.3997115 19.5133169 19.5918161 19.8135018
19.8806829 20.1140168 20.1860746 20.2798286 20.4938199
20.5230879 20.7036316 20.8283165 21.0355637 21.0738421
21.3232753 21.4153520 21.4457343 21.4821188 21.6109742
21.6738785 21.8513447 21.9714514 22.2582669 22.3447489
22.3925553 22.4569399 22.5650268 22.6372394 22.6909931
22.7971376 22.8289432 22.9653785 22.9868215 23.0616638
23.1354661 23.1682361 23.3873939 23.4726636 23.6841843
23.7197832 23.9469310 24.0113155 24.1120359 24.1424604
24.2996549 24.4364639 24.5356359 24.7136315 24.7943407
24.8815695 24.8910124 25.0507203 25.1205537 25.3072318
25.4553552 25.5486590 25.5927566 25.6779094 25.7531556
25.8936091 26.0442274 26.1993305 26.2421703 26.3879033
26.4900642 26.6344582 26.7549645 26.7959960 26.8277535
26.9618840 27.0787729 27.1907350 27.4907653 27.5092970
27.6292224 27.7966419 27.8301698 27.9737131 28.0545114
28.1665027 28.3444329 28.3923130 28.5622241 28.6297953
28.8332865 28.8925522 29.1403257 29.2264777 29.4449221
29.6550323 29.8202827 29.9217980 30.1685354 30.3123994
30.4363345 30.5518699 30.6684561 30.7121149 30.7661829
30.8837234 30.9807660 31.2107016 31.2588229 31.4013285
31.5778417 31.8041424 31.8726087 31.9990521 32.0970506
32.1961910 32.3941836 32.4566607 32.5886188 32.6132778
32.9684425 33.2340185 33.4022701 33.5470390 33.7626929
33.8126502 33.9539618 34.0675574 34.1703417 34.3478675
34.4676008 34.5299896 34.7791640 34.9847088 35.1818973
35.2985591 35.3548571 35.4651487 35.4864657 35.5869314
35.7090102 35.7705349 35.9228928 35.9680586 36.0070406
36.3104506 36.4232260 36.7097940 36.7997987 36.8785817
37.0292503 37.2245831 37.3789770 37.4138771 37.7492351
37.8642723 38.0495450 38.1571936 38.2926612 38.4369209
38.5645593 38.7031304 38.7959721 38.8950909 38.9710105
39.3594023 39.5415360 39.8499503 39.9907444 40.1025014
40.1808504 40.3006634 40.5772292 40.6271725 40.9142259
40.9502374 41.2115196 41.2404031 41.4149492 41.7338750
41.8394950 42.0120645 42.0716414 42.2355437 42.2975665
42.4583148 42.5401409 42.8003130 42.9282468 43.1455086
43.3443765 43.5409032 43.6674754 43.7670218 44.2490447
44.2753670 44.4107000 44.7289245 44.9615198 45.1180990
45.2352576 45.2504867 45.3894343 45.5441602 46.0380442
46.2332244 46.3662640 46.4464136 46.7239313 46.7891328
46.8951497 47.1059681 47.3382576 47.4529743 47.6922578
47.9978914 48.2781962 48.4382168 48.6038321 48.6445678
48.8855463 48.9716674 49.1530887 49.2849487 49.4257747
49.5488818 49.6122236 49.7882078 49.9776256 50.1611034
50.4402955 50.5823017 50.8230089 51.0597311 51.3647372
51.5921469 51.6971230 51.7769687 51.9080966 52.2889013
52.4025941 52.6956507 52.8871592 52.9881431 53.4460826
53.5203884 53.6350757 53.8466404 54.0653922 54.3604037
54.5721022 54.5923575 54.8345974 54.9243796 55.0748394
55.5702657 55.7189149 55.8426325 56.1523913 56.3602318
56.4873810 56.5454044 57.0049088 57.1142916 57.1936869
57.4943147 57.7182744 58.0462878 58.4557974 58.5727070
58.8404003 58.9115819 59.2624539 59.7917007 59.9284487
60.1881953 60.3542295 60.9341985 61.1476528 61.2230201
61.4999666 61.6696487 61.6772992 62.0268013 62.2156782
62.3610597 62.8575634 63.0774568 63.1901556 63.3857730
63.5129605 63.9820055 64.1542109 64.2890775 64.3934104
64.5570778 64.9104486 64.9450782 65.1178069 65.5578371
65.8974127 66.0318882 66.3326430 66.8370203 66.9398550
67.3460540 67.5015249 67.8092410 67.9537908 68.2706965
68.6619899 69.2294293 69.4283794 69.6795806 70.0184446
70.3353634 71.0659664 71.2374785 71.5276632 71.6093305
72.1825786 72.8207936 72.9489131 73.2441859 73.6996533
74.0873158 74.3213366 74.8679099 75.0484060 75.7696372
76.1957935 76.4227987 77.4590105 77.7549912 77.9709954
78.2572440 79.0328505 79.4036153 79.5606805 80.3263754
80.8029320 81.6906499 81.8185749 82.3086739 83.3740248
83.8469966 84.4542061 84.9888184 85.1942978 85.8854623
86.1594043 86.9680015 87.5674668 88.3767307 89.1953702
89.4278930 90.6225040 91.7194815 92.8607856 93.2667349
93.5797724 94.5768173 95.4957000 96.5283508 97.4264106
100.5455011 100.9352825 103.2490038 103.5695624 105.1167776
108.9407226
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034211 0.0034290 0.0034294 0.0034318 0.0034364
0.0034415 16.8163148 25.1066849 28.5210904 32.8159876
35.7023121 40.9652188 46.1500912 48.6291443 50.0902963
53.9303399 58.7448254 59.8312265 60.1966620 63.1400487
65.5736907 73.8081809 75.5762216 77.9243249 81.5016391
88.1542157 89.3592907 91.8620304 93.2372824 99.4984931
100.4543678 102.8474367 106.9228994 108.9840743 111.5352189
113.2025420 114.8852262 120.9845766 123.3438575 126.0351194
127.4041617 128.1362543 130.8586419 133.4765396 134.2858038
136.9134648 138.0873427 141.6378058 143.3932680 145.9059277
148.9200391 151.6221323 154.1215230 155.7332580 158.5760336
163.7189713 165.2444848 170.3451217 171.3847142 175.2056517
178.5679661 180.7759097 182.1494953 183.9773824 186.1856346
186.7325071 192.1661462 193.1744190 195.8137918 197.6070376
198.9536391 199.3850103 201.8576393 203.3296728 205.1851033
208.4268065 212.8473878 215.7857851 217.3331454 218.9781787
221.0455865 221.8903886 222.9386620 224.9036866 227.3484628
228.7015032 232.3241941 233.3553490 236.6394038 236.9461112
239.7714325 241.7641359 244.8745886 247.1118150 249.5682256
249.9113542 252.4414743 253.1899855 256.1262967 258.3312061
261.4083087 262.9339986 265.5529642 266.2971403 267.5338482
268.8326792 271.7707874 272.3109304 275.5897251 278.2104614
278.9306076 279.5804068 282.5021747 284.1033480 284.4664556
286.6090392 288.9047441 289.6377940 290.0988332 293.3864909
295.4067549 301.2273935 302.8922994 304.6614143 307.2977555
311.7702555 314.0782783 314.5962940 316.7954933 319.8127183
321.1223199 321.9855555 322.8056906 325.2027170 327.4012030
329.9447722 330.5817379 333.6679034 336.0540382 336.5732512
337.2328702 339.0299373 340.8694357 343.2415780 345.0387968
345.9945401 350.4846852 353.2278523 354.4266283 356.5764881
358.3486574 359.1783933 360.3376535 361.3110273 363.0846258
364.3221966 366.7349521 369.9264499 372.1687131 373.7633659
375.3231709 376.7437105 377.4149061 378.2389191 381.0932857
383.2769788 386.0593978 390.2405986 390.8115445 391.7201860
395.3355519 395.9693616 397.2685393 398.5192135 399.8619976
400.3148034 403.1350320 404.0486961 404.3334432 406.5817661
408.0902351 410.5564738 412.9210686 414.1164869 415.9596333
416.5967655 419.0124713 420.2709439 422.0825306 424.6118771
425.7075970 427.0078586 429.2473557 431.8811625 433.5712063
435.3185931 436.9941529 438.1622528 439.3108604 439.8279476
441.8375046 443.5603279 443.9565744 445.2909101 447.0026407
447.1913337 448.1337566 450.8180831 451.8498435 453.4307842
455.2569221 456.5335260 457.4370372 457.7200301 459.1263089
460.1599986 461.6241286 464.6154622 466.9918461 468.1902385
468.4471000 470.9128912 472.4473642 473.5075332 475.0957404
476.9283000 478.2917785 479.6901818 480.6540749 483.3657777
484.1845524 487.0176321 487.8892136 489.0208995 491.5941861
491.9450934 494.1042007 495.5898057 498.0493270 498.5022712
501.4437666 502.5252504 502.8815945 503.3080045 504.8152350
505.5493978 507.6149038 509.0080538 512.3195791 513.3138937
513.8627164 514.6009323 515.8378521 516.6625842 517.2756466
518.4840976 518.8456544 520.3937645 520.6366564 521.4835325
522.3172956 522.6870806 525.1534173 526.1098926 528.4750594
528.8720773 531.3983620 532.1122499 533.2271095 533.5634162
535.2976456 536.8024145 537.8905809 539.8381386 540.7189155
541.6692309 541.7720062 543.5073096 544.2643442 546.2828946
547.8792609 548.8824377 549.3559258 550.2690820 551.0747424
552.5754347 554.1802185 555.8279445 556.2821894 557.8246765
558.9034442 560.4246302 561.6910060 562.1215469 562.4545495
563.8588455 565.0797837 566.2467912 569.3622843 569.5541574
570.7942783 572.5210332 572.8662124 574.3416860 575.1705416
576.3174153 578.1348724 578.6229661 580.3517403 581.0378197
583.0990765 583.6980381 586.1955016 587.0613917 589.2512126
591.3498367 592.9951736 594.0036636 596.4477349 597.8681772
599.0891508 600.2251354 601.3692771 601.7971718 602.3266642
603.4761448 604.4235201 606.6623542 607.1298564 608.5122026
610.2200907 612.4027400 613.0615596 614.2764089 615.2163148
616.1657126 618.0573847 618.6531063 619.9094510 620.1439415
623.5115395 626.0178390 627.6004870 628.9590598 630.9774224
631.4440660 632.7621723 633.8197654 634.7751856 636.4219793
637.5302659 638.1069927 640.4051997 642.2948089 644.1023870
645.1694126 645.6837002 646.6900407 646.8843639 647.7994141
648.9095810 649.4683590 650.8500334 651.2590612 651.6118811
654.3514960 655.3668723 657.9399450 658.7460159 659.4507784
660.7965087 662.5370982 663.9096571 664.2195252 667.1897387
668.2055641 669.8383591 670.7852323 671.9749054 673.2394791
674.3563738 675.5668443 676.3766393 677.2401167 677.9007492
681.2704118 682.8448655 685.5027043 686.7126136 687.6714777
688.3429081 689.3684092 691.7297821 692.1553486 694.5962745
694.9018889 697.1152682 697.3595150 698.8337110 701.5193193
702.4064605 703.8535286 704.3524155 705.7230863 706.2410730
707.5818046 708.2633058 710.4258452 711.4868150 713.2849766
714.9269364 716.5458696 717.5866033 718.4040598 722.3492561
722.5640751 723.6675347 726.2556233 728.1414790 729.4082597
730.3546757 730.4776079 731.5982626 732.8441568 736.8069487
738.3671586 739.4287496 740.0675689 742.2752309 742.7929585
743.6340093 745.3036483 747.1390131 748.0437518 749.9274005
752.3265002 754.5200730 755.7694862 757.0604109 757.3775970
759.2512521 759.9197397 761.3260442 762.3465419 763.4349231
764.3850935 764.8735214 766.2288981 767.6850621 769.0929333
771.2303132 772.3151856 774.1506216 775.9514370 778.2655659
779.9864900 780.7796183 781.3823382 782.3711586 785.2357046
786.0889179 788.2839173 789.7150238 790.4686139 793.8769991
794.4286695 795.2793932 796.8463472 798.4632999 800.6387705
802.1962400 802.3451006 804.1232323 804.7812701 805.8828246
809.4993735 810.5813468 811.4807499 813.7282776 815.2328389
816.1519076 816.5709727 819.8821057 820.6683361 821.2385492
823.3940631 824.9962023 827.3371111 830.2503641 831.0801859
832.9771525 833.4808437 835.9592268 839.6837211 840.6433813
842.4632033 843.6244059 847.6680841 849.1514896 849.6746372
851.5942499 852.7682406 852.8211340 855.2340296 856.5351702
857.5353332 860.9423100 862.4469042 863.2170161 864.5521112
865.4190658 868.6087596 869.7768897 870.6906432 871.3968660
872.5035688 874.8882537 875.1215980 876.2845668 879.2403060
881.5145030 882.4134895 884.4207663 887.7768586 888.4595583
891.1511205 892.1791553 894.2104108 895.1630032 897.2478928
899.8155064 903.5260033 904.8233389 906.4587472 908.6602079
910.7142836 915.4320501 916.5360461 918.4008959 918.9250424
922.5958073 926.6654780 927.4802982 929.3554677 932.2405782
934.6891698 936.1642147 939.6002740 940.7322148 945.2417252
947.8961917 949.3071446 955.7212723 957.5454973 958.8746110
960.6331180 965.3817921 967.6435778 968.6001341 973.2498951
976.1326519 981.4800034 982.2481865 985.1856620 991.5409704
994.3494450 997.9434271 1001.0970370 1002.3064939 1006.3640384
1007.9677199 1012.6865116 1016.1707121 1020.8554370 1025.5726640
1026.9085731 1033.7447316 1039.9826064 1046.4330724 1048.7178662
1050.4763334 1056.0576522 1061.1754362 1066.8975635 1071.8490605
1088.8714269 1090.9799814 1103.4133024 1105.1248660 1113.3489394
1133.4187843
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402172323063225092.eigenfacs
Openam> file on opening on unit 10:
2402172323063225092.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402172323063225092.atom
Openam> file on opening on unit 11:
2402172323063225092.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 = 94
Last residue number = 288
Number of atoms found = 197
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9250E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9712E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9733E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9876E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0014E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0044E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.3981E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.3455E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.8983E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 9.1323E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1423
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1806
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2005
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2128
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2466
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2927
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3036
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3073
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3381
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3646
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4844
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5149
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5633
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6772
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7156
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7372
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8395
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8970
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.055
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.087
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.119
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.241
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.290
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.347
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.377
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.392
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.529
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.617
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.701
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.744
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.805
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 1.881
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 1.950
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.057
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.273
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.316
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.491
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.603
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.704
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.771
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 2.814
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 2.870
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 2.940
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 2.957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.165
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.252
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.311
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.357
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.371
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.455
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.506
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 3.570
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 3.684
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 3.842
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 3.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.006
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.066
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.175
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.215
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.289
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.383
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4.436
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 4.577
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 4.618
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 4.749
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 4.761
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 4.875
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 4.957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.085
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.178
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.282
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.296
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.404
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 5.436
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 5.563
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 5.659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 5.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 5.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 5.980
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.129
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 591 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.023981
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= 0.120 for 197 C-alpha atoms.
Bfactors> = 14.471 +/- 27.70
Bfactors> = 12.786 +/- 8.34
Bfactors> Shiftng-fct= -1.685
Bfactors> Scaling-fct= 0.301
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402172323063225092 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=0
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=100
2402172323063225092.eigenfacs
2402172323063225092.atom
making animated gifs
11 models are in 2402172323063225092.7.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 2402172323063225092.7.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 2402172323063225092.7.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 2402172323063225092 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=0
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=100
2402172323063225092.eigenfacs
2402172323063225092.atom
making animated gifs
11 models are in 2402172323063225092.8.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 2402172323063225092.8.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 2402172323063225092.8.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 2402172323063225092 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=0
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=100
2402172323063225092.eigenfacs
2402172323063225092.atom
making animated gifs
11 models are in 2402172323063225092.9.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 2402172323063225092.9.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 2402172323063225092.9.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 2402172323063225092 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=0
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=100
2402172323063225092.eigenfacs
2402172323063225092.atom
making animated gifs
11 models are in 2402172323063225092.10.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 2402172323063225092.10.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 2402172323063225092.10.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 2402172323063225092 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=0
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=100
2402172323063225092.eigenfacs
2402172323063225092.atom
making animated gifs
11 models are in 2402172323063225092.11.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 2402172323063225092.11.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 2402172323063225092.11.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 2402172323063225092 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=0
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=100
2402172323063225092.eigenfacs
2402172323063225092.atom
making animated gifs
11 models are in 2402172323063225092.12.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 2402172323063225092.12.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 2402172323063225092.12.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 2402172323063225092 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=0
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=100
2402172323063225092.eigenfacs
2402172323063225092.atom
making animated gifs
11 models are in 2402172323063225092.13.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 2402172323063225092.13.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 2402172323063225092.13.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 2402172323063225092 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=0
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=100
2402172323063225092.eigenfacs
2402172323063225092.atom
making animated gifs
11 models are in 2402172323063225092.14.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 2402172323063225092.14.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 2402172323063225092.14.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 2402172323063225092 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=0
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=100
2402172323063225092.eigenfacs
2402172323063225092.atom
making animated gifs
11 models are in 2402172323063225092.15.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 2402172323063225092.15.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 2402172323063225092.15.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 2402172323063225092 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=-20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=0
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=20
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=40
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=60
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=80
2402172323063225092.eigenfacs
2402172323063225092.atom
calculating perturbed structure for DQ=100
2402172323063225092.eigenfacs
2402172323063225092.atom
making animated gifs
11 models are in 2402172323063225092.16.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 2402172323063225092.16.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 2402172323063225092.16.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
2402172323063225092.10.pdb
2402172323063225092.11.pdb
2402172323063225092.12.pdb
2402172323063225092.13.pdb
2402172323063225092.14.pdb
2402172323063225092.15.pdb
2402172323063225092.16.pdb
2402172323063225092.7.pdb
2402172323063225092.8.pdb
2402172323063225092.9.pdb
STDERR:
real 0m2.886s
user 0m2.874s
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: 2402172323063225092.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
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
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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