*** ***
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 = 2404250412092439511.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 2404250412092439511.atom to be opened.
Openam> File opened: 2404250412092439511.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 = 184
First residue number = 1
Last residue number = 288
Number of atoms found = 192
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 33.537323 +/- 9.123407 From: 11.460000 To: 53.033000
= 27.848370 +/- 8.629759 From: 6.241000 To: 48.000000
= 97.822687 +/- 9.266593 From: 77.117000 To: 117.891000
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 6.0063 % Filled.
Pdbmat> 9981 non-zero elements.
Pdbmat> 981 atom-atom interactions.
Pdbmat> Number per atom= 10.22 +/- 3.52
Maximum number = 20
Minimum number = 4
Pdbmat> Matrix trace = 19620.0
Pdbmat> Larger element = 75.9186
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 192 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) = 576
Diagstd> Number of non-zero elements 9981
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 19620.0000006
%Diagstd-Wn: Nb on non-zero elements there: 576
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 576 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 19620.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0376975 0.0640039 0.0679849 0.0775173
0.1109870 0.1270601 0.1619447 0.1788281 0.2088235
0.2455978 0.3048361 0.3449143 0.3627142 0.3858650
0.4164642 0.4686963 0.5015360 0.5122697 0.5926446
0.6042808 0.7106992 0.7443252 0.8130656 0.8329035
0.8763326 0.9322627 0.9408818 0.9691057 1.0118761
1.0898643 1.1446993 1.1907118 1.2266765 1.3271676
1.3938267 1.4525664 1.4992617 1.5312362 1.5837451
1.6675003 1.7760206 1.8218814 1.9320433 2.0063587
2.0438360 2.1423491 2.2129650 2.3538480 2.4558734
2.4949214 2.5192611 2.6183453 2.6616639 2.7035622
2.8445837 2.9836134 3.0671147 3.1100718 3.2020752
3.3091132 3.4800014 3.5092166 3.6361603 3.6961431
3.7938585 3.8380728 3.9225990 4.0328361 4.1574851
4.2607337 4.3560562 4.3939486 4.4916288 4.5224434
4.6754639 4.8896902 4.9294325 5.0261895 5.0977449
5.2232389 5.2755618 5.4843361 5.4903509 5.5200301
5.5560650 5.7518922 5.7776446 5.8981377 6.0081121
6.0337146 6.2367074 6.3113915 6.4923558 6.5139465
6.6293282 6.6467954 6.7198889 6.9370843 6.9475766
7.0560615 7.2081191 7.2519221 7.5156350 7.6230420
7.7675687 7.8888150 7.9402863 8.0206307 8.1394908
8.2897213 8.4738895 8.5533428 8.7221962 8.8833145
8.9447121 8.9560763 9.0586693 9.1759975 9.2677700
9.3784220 9.4223089 9.5897662 9.6916539 9.7382265
9.8723393 10.0801974 10.1583351 10.2029930 10.3720614
10.4451473 10.6030090 10.7043115 10.8877970 10.9348224
10.9794365 11.1114846 11.2407239 11.3698588 11.4361306
11.6083050 11.6801300 11.7801398 11.8668102 11.9736764
12.0385211 12.1777008 12.3226716 12.3459132 12.4364737
12.6437824 12.8460426 13.0135462 13.0288112 13.0892757
13.2990152 13.3633402 13.4890203 13.6740748 13.7470681
13.8996950 13.9499110 14.1665979 14.3702853 14.4441542
14.5261015 14.7111142 14.8382628 14.8845418 15.1070823
15.2834468 15.4509824 15.6038289 15.6963344 15.7963490
15.9947271 16.0126802 16.0727248 16.3379924 16.4150077
16.5984773 16.6657838 16.7017706 16.8332928 17.0236114
17.0747018 17.2360437 17.2857448 17.3842122 17.4346756
17.5709184 17.7258023 17.7927323 17.9033439 18.0755535
18.2179439 18.3115837 18.4577256 18.6148351 18.7730738
18.8736870 19.0996394 19.1316611 19.3081695 19.3796227
19.4801540 19.5869749 19.6803344 19.8955803 19.9599807
20.1713946 20.3351549 20.4112011 20.5606043 20.6077763
20.8231215 20.8868580 21.0184604 21.2223685 21.4978328
21.5633604 21.7329518 21.9002037 22.0262582 22.1498600
22.3199672 22.4710548 22.6365138 22.6907083 22.8708411
22.9397162 23.1404231 23.2543145 23.3060867 23.3321375
23.4169656 23.4508931 23.7441567 23.7561938 23.8335475
23.8729734 24.1059365 24.2398049 24.2684185 24.4223749
24.4865769 24.5817599 24.6441018 24.6839588 24.7612273
24.9153848 24.9947833 25.1649755 25.2299788 25.2648055
25.4333482 25.5475816 25.5694149 25.6522443 25.7048381
25.9246022 26.0188906 26.1053146 26.1478402 26.1911469
26.2060406 26.3381151 26.3434712 26.4200928 26.6124379
26.6514526 26.7417105 26.8719164 26.9994531 27.1447428
27.3721768 27.4380756 27.5029760 27.7732283 27.8748582
27.9481191 28.0013402 28.1014403 28.3213972 28.3818800
28.4965380 28.6267507 28.9337936 28.9750788 29.2708541
29.3763898 29.4823717 29.5765529 29.7592951 29.7773666
29.9078292 30.1759511 30.2575568 30.3452660 30.5711015
30.6797069 30.9758894 31.0235755 31.1798619 31.3531500
31.4508802 31.6326751 31.8246595 31.8503286 31.9025362
32.0189553 32.0456115 32.1640849 32.3746575 32.5097475
32.5582624 32.7354745 32.8220702 32.9214550 33.2321831
33.3967382 33.4340198 33.6523281 33.7802968 33.9003037
34.0309394 34.1509973 34.3462775 34.4267188 34.7183734
34.9765282 35.1568178 35.2321266 35.3173795 35.5047999
35.6406459 35.8002293 35.9166339 36.3362181 36.4625045
36.6036940 36.7346569 36.8038151 37.0538183 37.1059234
37.2248923 37.5887054 37.9407663 38.0848472 38.1036448
38.2042488 38.3602252 38.4506786 38.5221346 38.7802768
38.8729696 39.1514148 39.3104140 39.5485620 39.5863161
39.7140634 39.9514577 40.1219377 40.2884339 40.3823997
40.5177786 40.7122969 40.8145853 41.2132588 41.2710279
41.5452858 41.7739834 41.9017222 41.9849301 42.1460314
42.3047952 42.5394068 42.7364892 42.9964696 43.0545220
43.2694515 43.5796740 43.6330077 43.8195244 44.1308025
44.3140798 44.4527765 44.5653322 44.7628804 44.9896523
45.1254795 45.3967320 45.6857278 45.9866283 46.3770054
46.4559864 46.8059224 46.8457579 47.0831277 47.3170818
47.3577812 47.5142358 47.8045411 48.0910927 48.3231330
48.4948146 48.6539876 48.7310878 49.1962619 49.3693050
49.5422407 49.5722499 49.8501826 49.9328160 50.3099642
50.3901297 50.5438654 50.6210251 50.9485457 51.2035860
51.2297673 51.5009152 51.7200960 51.8476130 52.0045434
52.0255770 52.3407164 52.5122532 52.5705494 52.6834160
52.9197723 53.0626108 53.1638301 53.2089024 53.4573951
53.5365242 53.5768157 53.6550870 53.8033269 54.1306771
54.4092433 54.6013039 54.7248414 55.0637859 55.1895688
55.5687600 55.6747701 56.0305826 56.1750194 56.4734808
56.5164492 56.8148846 56.8488630 57.1575426 57.2575639
57.3729027 57.4013097 57.9069327 58.0947625 58.2635931
58.4502134 58.9948870 59.2807142 59.5111334 59.5415936
60.0185996 60.2232537 60.5595954 60.9971502 61.2747992
61.4142110 61.6970291 61.8717482 62.0322927 62.2987071
62.4669536 62.5747002 62.8808172 62.9394064 63.3104389
63.6244099 63.8766274 64.0763419 64.3566675 64.4933865
64.6156930 64.8738317 65.1938161 65.2888088 65.5555507
66.1219683 66.2819499 66.6344225 66.9768037 67.1547094
67.3512935 67.7525374 68.1850898 68.5214080 68.8443026
69.1485506 69.5921272 69.7042690 70.2255153 70.5778637
70.7597001 71.3146896 71.5377200 71.8267928 72.2604371
72.7831949 72.8273893 73.1925185 73.6240343 73.7418813
74.0001126 74.1888703 74.6120185 74.8134045 75.3939378
75.8102428 76.0648209 76.2184657 77.0040012 77.3874003
78.1564996 78.6356174 78.7811043 78.9108012 79.5690672
80.4020571 80.8190250 80.8556788 81.3235943 81.4810820
82.0339010 82.3176788 83.2967460 83.6057423 83.9082062
85.0158652 85.5380705 85.6795317 86.2471829 87.1800589
87.7848133 88.1088262 88.9296415 89.2172156 90.6546379
90.7562907 92.4474179 92.5948865 93.4269576 93.9713905
94.4367376 94.5514650 96.1576662 96.9363634 97.3363008
99.3350921 100.4721296 101.1808644 101.4194280 102.9508718
107.7129144 110.2787148 111.1840758 112.3572160 114.1753704
121.4162115
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034311 0.0034352 0.0034363 0.0034394 0.0034434
0.0034451 21.0839346 27.4725112 28.3140119 30.2339243
36.1768952 38.7079213 43.6997176 45.9211888 49.6232174
53.8155138 59.9554211 63.7750585 65.3999719 67.4548184
70.0783896 74.3431669 76.9035388 77.7221196 83.5973361
84.4140372 91.5457500 93.6864224 97.9169952 99.1043259
101.6552381 104.8490349 105.3326002 106.9007773 109.2342774
113.3656541 116.1825739 118.4946129 120.2708279 125.1002474
128.2034372 130.8769821 132.9639809 134.3743480 136.6589018
140.2259034 144.7169083 146.5734576 150.9397780 153.8153124
155.2452450 158.9426323 161.5409196 166.6036416 170.1759828
171.5235349 172.3581687 175.7149597 177.1625352 178.5514823
183.1490374 187.5713733 190.1780047 191.5051624 194.3171109
197.5381997 202.5745993 203.4231460 207.0698140 208.7707577
211.5124058 212.7413382 215.0711899 218.0723307 221.4168322
224.1493461 226.6428472 227.6264709 230.1427023 230.9307950
234.8051581 240.1242108 241.0980737 243.4527646 245.1795983
248.1791123 249.4190602 254.3064119 254.4458252 255.1326288
255.9640295 260.4357789 261.0181411 263.7258694 266.1731794
266.7397025 271.1895587 272.8084648 276.6918936 277.1515901
279.5954112 279.9635148 281.4986560 286.0116783 286.2278918
288.4539283 291.5454432 292.4299469 297.6995097 299.8191964
302.6480172 305.0009320 305.9943166 307.5385341 309.8089068
312.6549046 316.1088675 317.5873676 320.7068272 323.6553559
324.7719126 324.9781575 326.8341918 328.9439645 330.5848172
332.5524604 333.3296527 336.2786463 338.0603431 338.8716326
341.1970894 344.7702617 346.1039436 346.8638782 349.7259185
350.9559142 353.5980376 355.2831823 358.3152456 359.0882113
359.8200062 361.9772899 364.0763093 366.1616154 367.2271927
369.9812246 371.1240665 372.7095338 374.0780952 375.7586940
376.7748005 378.9465263 381.1954589 381.5547728 382.9516167
386.1302156 389.2063870 391.7356616 391.9653485 392.8738179
396.0089681 396.9655253 398.8278569 401.5542774 402.6246148
404.8535169 405.5841721 408.7220457 411.6498637 412.7065282
413.8755950 416.5029328 418.2989843 418.9507916 422.0710631
424.5276050 426.8480768 428.9541460 430.2237696 431.5922523
434.2938682 434.5375333 435.3514897 438.9293532 439.9626670
442.4145530 443.3106372 443.7890042 445.5329410 448.0444781
448.7162987 450.8313141 451.4808449 452.7649380 453.4216112
455.1897895 457.1915880 458.0539184 459.4754982 461.6800233
463.4949011 464.6845505 466.5351524 468.5164859 470.5036256
471.7627592 474.5782870 474.9759499 477.1619798 478.0440744
479.2823914 480.5946846 481.7386790 484.3659279 485.1492217
487.7117775 489.6875048 490.6022792 492.3945272 492.9590517
495.5279965 496.2857867 497.8468119 500.2558848 503.4920540
504.2588170 506.2378798 508.1820933 509.6425066 511.0704529
513.0291671 514.7626288 516.6543046 517.2723998 519.3215550
520.1029306 522.3732488 523.6571661 524.2397633 524.5326709
525.4853213 525.8658559 529.1437306 529.2778389 530.1388424
530.5771438 533.1596628 534.6380208 534.9534817 536.6476436
537.3525562 538.3959279 539.0782096 539.5139606 540.3577238
542.0371837 542.9001585 544.7453556 545.4484645 545.8247945
547.6423795 548.8708646 549.1053502 549.9940156 550.5575429
552.9060351 553.9105893 554.8297582 555.2814836 555.7411288
555.8991183 557.2981814 557.3548446 558.1648061 560.1929134
560.6033938 561.5518623 562.9173052 564.2515538 565.7676947
568.1329118 568.8163931 569.4887184 572.2798602 573.3259694
574.0788839 574.6252285 575.6514061 577.8998975 578.5166464
579.6840238 581.0069243 584.1144767 584.5310600 587.5069081
588.5650797 589.6258139 590.5668403 592.3884745 592.5683125
593.8649936 596.5210369 597.3270867 598.1922118 600.4140183
601.4795735 604.3759479 604.8409749 606.3625550 608.0452086
608.9921331 610.7496696 612.6002403 612.8472463 613.3493163
614.4674173 614.7231405 615.8584152 617.8710852 619.1588409
619.6206597 621.3046452 622.1258760 623.0670586 626.0005522
627.5485152 627.8986915 629.9452963 631.1418969 632.2619912
633.4790391 634.5954818 636.4072485 637.1520671 639.8452723
642.2197094 643.8727713 644.5620162 645.3413840 647.0514506
648.2881198 649.7378757 650.7933318 654.5836329 655.7201476
656.9884558 658.1627127 658.7819633 661.0156839 661.4802806
662.5398499 665.7696060 668.8801831 670.1490234 670.3143859
671.1987095 672.5674641 673.3599543 673.9853435 676.2398075
677.0475016 679.4680041 680.8463120 682.9055291 683.2314112
684.3329359 686.3752186 687.8381024 689.2638053 690.0671309
691.2228618 692.8800916 693.7499651 697.1299773 697.6183936
699.9324936 701.8563365 702.9286053 703.6261919 704.9748493
706.3014190 708.2571949 709.8959544 712.0519481 712.5324806
714.3087588 716.8648214 717.3033438 718.8348266 721.3834799
722.8798978 724.0102697 724.9262975 726.5312393 728.3692435
729.4679157 731.6570735 733.9822442 736.3953962 739.5143939
740.1438305 742.9262169 743.2422942 745.1229377 746.9718860
747.2930682 748.5264559 750.8096692 753.0565715 754.8711405
756.2108985 757.4509254 758.0508399 761.6603233 762.9986806
764.3338658 764.5653212 766.7056384 767.3408342 770.2332887
770.8467013 772.0216974 772.6107525 775.1061379 777.0437451
777.2423784 779.2965503 780.9530789 781.9152141 783.0976563
783.2560050 785.6246679 786.9109833 787.3476545 788.1924011
789.9584768 791.0238670 791.7779647 792.1135279 793.9610117
794.5484156 794.8473473 795.4277390 796.5257967 798.9452331
800.9983535 802.4108403 803.3180700 805.8019502 806.7217775
809.4884062 810.2601808 812.8452072 813.8922180 816.0514832
816.3618746 818.5144388 818.7591603 820.9790119 821.6970228
822.5242137 822.7278165 826.3433961 827.6824957 828.8842974
830.2107085 834.0699354 836.0880070 837.7113331 837.9256929
841.2754376 842.7085266 845.0584774 848.1058385 850.0338656
851.0003106 852.9575273 854.1644139 855.2718865 857.1065169
858.2631053 859.0029772 861.1015460 861.5026179 864.0381979
866.1780300 867.8931674 869.2488710 871.1482206 872.0730617
872.8995782 874.6414501 876.7958423 877.4343912 879.2249738
883.0151741 884.0827531 886.4303136 888.7047249 889.8842438
891.1857849 893.8364535 896.6851730 898.8938714 901.0093189
902.9980679 905.8897300 906.6193180 910.0028400 912.2829004
913.4573446 917.0326075 918.4654576 920.3192745 923.0932436
926.4262199 926.7074430 929.0276201 931.7621956 932.5076148
934.1389278 935.3295586 937.9931672 939.2581873 942.8953496
945.4949725 947.0811736 948.0372049 952.9100917 955.2793920
960.0145838 962.9526459 963.8430326 964.6360913 968.6511841
973.7082741 976.2298516 976.4512011 979.2725090 980.2202587
983.5398533 985.2395519 991.0813372 992.9178857 994.7123240
1001.2563184 1004.3266918 1005.1568166 1008.4810447 1013.9203961
1017.4310218 1019.3069563 1024.0438440 1025.6982461 1033.9279936
1034.5075127 1044.1013881 1044.9338112 1049.6182750 1052.6720863
1055.2752877 1055.9160990 1064.8470630 1069.1500036 1071.3532682
1082.2974363 1088.4740612 1092.3063867 1093.5933451 1101.8190950
1127.0136307 1140.3577759 1145.0292354 1151.0541770 1160.3299303
1196.5576262
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404250412092439511.eigenfacs
Openam> file on opening on unit 10:
2404250412092439511.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404250412092439511.atom
Openam> file on opening on unit 11:
2404250412092439511.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 = 184
First residue number = 1
Last residue number = 288
Number of atoms found = 192
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: 9.9836E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0014E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0031E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0055E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0065E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.7698E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 6.4004E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.7985E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.7517E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1110
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1271
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1619
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1788
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3449
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3627
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3859
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4165
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4687
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5015
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5123
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5926
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6043
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7107
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7443
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8131
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8329
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8763
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9323
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9409
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9691
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.012
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.090
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.145
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.191
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.227
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.327
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.394
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.453
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.499
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.584
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.668
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.776
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.822
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.932
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.006
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.044
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.213
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.354
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.495
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.519
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.618
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.662
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.704
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.845
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.984
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.067
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.110
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.202
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.309
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.480
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.509
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.636
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.696
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.794
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.838
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.923
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.033
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.157
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.261
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.356
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.394
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.492
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.522
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.675
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.890
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.929
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 5.026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 5.098
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.223
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.276
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.484
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.490
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.520
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.556
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.752
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.778
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.898
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 6.008
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.237
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.311
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.492
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.514
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.629
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.647
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.720
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.937
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.948
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 7.056
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 576 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 : 0.037698
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= 0.321 for 191 C-alpha atoms.
Bfactors> = 13.443 +/- 26.11
Bfactors> = 21.631 +/- 11.73
Bfactors> Shiftng-fct= 8.188
Bfactors> Scaling-fct= 0.449
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404250412092439511 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=0
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=100
2404250412092439511.eigenfacs
2404250412092439511.atom
making animated gifs
11 models are in 2404250412092439511.7.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 2404250412092439511.7.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 2404250412092439511.7.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 2404250412092439511 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=0
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=100
2404250412092439511.eigenfacs
2404250412092439511.atom
making animated gifs
11 models are in 2404250412092439511.8.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 2404250412092439511.8.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 2404250412092439511.8.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 2404250412092439511 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=0
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=100
2404250412092439511.eigenfacs
2404250412092439511.atom
making animated gifs
11 models are in 2404250412092439511.9.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 2404250412092439511.9.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 2404250412092439511.9.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 2404250412092439511 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=0
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=100
2404250412092439511.eigenfacs
2404250412092439511.atom
making animated gifs
11 models are in 2404250412092439511.10.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 2404250412092439511.10.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 2404250412092439511.10.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 2404250412092439511 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=0
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=100
2404250412092439511.eigenfacs
2404250412092439511.atom
making animated gifs
11 models are in 2404250412092439511.11.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 2404250412092439511.11.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 2404250412092439511.11.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 2404250412092439511 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=0
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=100
2404250412092439511.eigenfacs
2404250412092439511.atom
making animated gifs
11 models are in 2404250412092439511.12.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 2404250412092439511.12.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 2404250412092439511.12.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 2404250412092439511 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=0
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=100
2404250412092439511.eigenfacs
2404250412092439511.atom
making animated gifs
11 models are in 2404250412092439511.13.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 2404250412092439511.13.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 2404250412092439511.13.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 2404250412092439511 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=0
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=100
2404250412092439511.eigenfacs
2404250412092439511.atom
making animated gifs
11 models are in 2404250412092439511.14.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 2404250412092439511.14.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 2404250412092439511.14.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 2404250412092439511 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=0
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=100
2404250412092439511.eigenfacs
2404250412092439511.atom
making animated gifs
11 models are in 2404250412092439511.15.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 2404250412092439511.15.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 2404250412092439511.15.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 2404250412092439511 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=-20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=0
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=20
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=40
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=60
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=80
2404250412092439511.eigenfacs
2404250412092439511.atom
calculating perturbed structure for DQ=100
2404250412092439511.eigenfacs
2404250412092439511.atom
making animated gifs
11 models are in 2404250412092439511.16.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 2404250412092439511.16.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 2404250412092439511.16.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
2404250412092439511.10.pdb
2404250412092439511.11.pdb
2404250412092439511.12.pdb
2404250412092439511.13.pdb
2404250412092439511.14.pdb
2404250412092439511.15.pdb
2404250412092439511.16.pdb
2404250412092439511.7.pdb
2404250412092439511.8.pdb
2404250412092439511.9.pdb
STDERR:
real 0m2.806s
user 0m2.794s
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: 2404250412092439511.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
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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
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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
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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
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
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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