*** ***
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 = 2404260321172858053.atom
Pdbmat> Distance cutoff = 10.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2404260321172858053.atom to be opened.
Openam> File opened: 2404260321172858053.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 195
First residue number = 96
Last residue number = 290
Number of atoms found = 200
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 96.694100 +/- 7.648145 From: 79.803000 To: 115.624000
= 82.577710 +/- 9.436438 From: 62.360000 To: 100.028000
= -30.213850 +/- 10.675943 From: -51.939000 To: -9.843000
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 9.3583 % Filled.
Pdbmat> 16873 non-zero elements.
Pdbmat> 1742 atom-atom interactions.
Pdbmat> Number per atom= 17.42 +/- 5.20
Maximum number = 28
Minimum number = 6
Pdbmat> Matrix trace = 34840.0
Pdbmat> Larger element = 117.032
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 200 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 600
Diagstd> Number of non-zero elements 16873
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 34840.0000006
%Diagstd-Wn: Nb on non-zero elements there: 600
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 600 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 34840.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5246691 0.6390634 0.8083094 0.9034752
0.9842331 1.3156330 1.4230883 1.5923216 1.8199065
2.0160724 2.1370383 2.5362088 2.6262495 2.9373151
3.0255641 3.1615984 3.5537793 3.6842253 3.9470072
4.3347985 4.5466130 4.5756382 4.9245597 5.1012707
5.2577443 5.5152448 5.9288128 6.0056358 6.4918045
6.6467643 6.7387625 6.8303358 7.0373067 7.1715467
7.3036710 7.5368402 7.6954327 7.9062329 8.3315052
8.4506239 8.6907404 8.8202291 9.0563060 9.2537488
9.5191413 9.8730839 10.0129300 10.4158140 10.4771104
10.7404910 10.8249177 10.9822720 11.1969024 11.5522736
11.5704574 11.7570847 11.9192747 12.5560684 12.7458097
12.8844839 13.1757298 13.3203819 13.5799835 13.7428037
13.8655170 14.1061603 14.3160148 14.6625799 14.7765231
14.9025887 15.2469935 15.5149657 15.6882531 15.9709368
16.1196459 16.4131079 16.5606673 16.8787043 16.9824606
17.2289513 17.3715431 17.8169172 17.9796611 18.0595784
18.3122778 18.4372338 18.6250933 18.8970599 19.0254278
19.1402252 19.2457525 19.3078835 19.5849889 19.8854342
20.0184678 20.3016884 20.3680209 20.6807281 20.9350159
21.0758195 21.3311634 21.4533186 21.7038391 21.7920108
21.8873049 22.2177620 22.4768302 22.6797343 22.8226152
22.9935671 23.2900952 23.4783175 23.7081278 23.8276912
23.9612895 24.3294552 24.3822898 24.4544867 24.6563978
24.9869194 25.0604763 25.1714272 25.4244811 25.6003732
25.8081485 25.9475517 26.3086812 26.5018086 26.5626729
26.6070639 26.7894934 27.0171404 27.2299481 27.4690512
27.5647100 27.7025475 27.8584236 28.0398988 28.2965592
28.5711938 28.7113851 28.8696746 28.9001823 28.9231654
29.2756738 29.4590550 29.5727033 29.6969049 30.0273906
30.2663132 30.3789777 30.4938553 30.6833521 30.9792400
31.2138531 31.5254549 31.6514311 31.8013239 31.9036863
32.0672437 32.1522648 32.3657763 32.4248595 32.5854043
32.6405510 33.0680373 33.1617456 33.2783387 33.4263805
33.5465735 33.6938752 33.8353100 34.1549900 34.4087695
34.4868112 34.6500161 34.9756716 35.1118923 35.1872159
35.3970354 35.4747409 35.6028674 35.8472044 35.9637643
36.0156218 36.1747115 36.3549612 36.6586905 36.8367699
36.8460480 37.0094803 37.1796855 37.2203409 37.4126537
37.6052730 37.8688110 38.1319312 38.2030498 38.3315057
38.4721761 38.7626568 38.9321465 39.0533785 39.1180751
39.3135906 39.5071286 39.6409762 39.7831208 39.9230568
40.1422458 40.1545983 40.5103180 40.6344296 40.7533669
40.9002197 40.9398424 41.1177721 41.1798907 41.4207433
41.5976124 41.7272750 41.8535309 41.9295612 42.0922972
42.3019335 42.3987909 42.7647763 42.8366353 42.9779345
43.0828807 43.1732086 43.2951851 43.4764814 43.8065506
43.8688831 44.0130941 44.0572851 44.2276180 44.3463851
44.5833252 44.7028230 44.7725513 44.9013382 44.9961574
45.1329496 45.5280810 45.6160903 45.6926736 45.8158496
46.0248033 46.2672661 46.4674830 46.6064017 46.7962430
46.9525228 47.1450350 47.3121989 47.4652528 47.5760186
47.8444212 47.8576604 48.1016452 48.1853179 48.3492335
48.6708073 48.7835172 48.9863245 49.0784198 49.2441286
49.3217504 49.5146541 49.5711776 49.7904907 49.9796031
50.0316969 50.3208464 50.4085695 50.4450410 50.5262049
50.7035098 50.8345169 51.1020737 51.3632323 51.4780906
51.5290229 51.7026861 51.9117358 51.9634709 52.3884048
52.7250613 52.9160645 53.0353494 53.3731779 53.5440694
53.6627007 53.9036489 53.9066439 54.1746133 54.4009911
54.5168132 54.6495200 54.8038473 55.0055453 55.3626992
55.3995278 55.5656741 55.6368053 55.9116067 55.9821656
56.2725484 56.3306765 56.5888620 56.7905158 56.8820489
57.1421333 57.3135724 57.5164393 57.8096917 57.9710697
58.2337305 58.3064466 58.4741664 58.4869100 58.6625167
58.7683312 58.9759448 59.1007068 59.3207445 59.5371957
59.8094977 60.0564878 60.2639835 60.3332936 60.4708612
60.6422363 60.8201070 61.0579315 61.1398969 61.3588749
61.4562800 61.7969812 61.9504217 62.2089923 62.3501039
62.5354596 62.7856221 62.8875857 63.2658941 63.3841044
63.7067030 63.8802287 63.9970203 64.1968525 64.3551946
64.4115325 64.7274572 64.8419198 65.1169196 65.2302885
65.4435649 65.5457371 65.6960435 66.0842587 66.1585109
66.2455449 66.6991903 66.8108551 66.9860434 67.1384976
67.4996791 67.7004204 67.9751277 68.2491160 68.4128523
68.4500430 68.6085982 68.7658142 68.8807370 69.0485052
69.2565938 69.4996872 69.5476043 69.7630890 70.1329538
70.1509307 70.4297084 71.0216504 71.2071193 71.3346802
71.4357157 71.6859583 71.8462910 71.9140323 72.2982649
72.4816383 72.7987431 72.9018256 73.3363405 73.3873618
73.7510622 74.0063286 74.2523000 74.2602329 74.4176082
74.5965462 74.6771222 74.9280124 75.1949598 75.3795992
75.4843082 75.5161801 75.5464459 75.8383817 76.0849295
76.3436358 76.6980169 76.8763800 77.0070401 77.3665053
77.5041727 77.6761370 77.8375907 78.1869316 78.4676778
78.5294596 78.8284527 78.8471227 79.5028715 79.6888017
79.9346241 79.9680277 80.0836874 80.1439202 80.5678359
80.5852566 80.8900183 81.1564192 81.4641635 81.6220731
81.8914501 82.1126570 82.3291875 82.5185006 82.6485073
82.7639410 82.9656017 83.2384698 83.5861429 83.8697833
84.1095669 84.2915341 84.4654438 84.7642116 85.0180848
85.0864114 85.3917467 85.5982760 85.8063898 86.1163102
86.6085482 86.9542863 87.1612658 87.3250483 87.5427639
87.7006695 88.3225255 88.4818680 88.5446149 88.9457962
89.2685180 89.3884541 89.6082386 89.8562027 90.2694976
90.4913261 90.6805785 90.8636469 91.0173802 91.2576495
91.4172495 91.6537435 91.9970846 92.3739382 92.7071935
93.1854631 93.3545901 93.7141274 94.0647197 94.5780290
94.6844630 94.9027995 95.1624510 95.5050807 95.8315088
96.1691861 96.5839308 96.8514553 97.2279232 97.4627353
97.9227895 98.3171842 98.8057416 99.0184106 99.3198199
99.5874919 99.9628890 100.3557228 100.6068514 100.8040362
101.4316177 101.5966888 102.0354329 102.2449819 103.0993170
103.3218022 103.6624019 103.8651725 104.2318948 104.4778736
105.2758468 105.4753054 105.8364251 106.0800251 106.5450393
106.6204681 107.3329362 107.5374949 107.8911524 108.7557608
109.2284626 109.5982250 109.6954952 110.2330063 110.7310999
111.0339209 111.3465354 111.5807790 112.3634264 112.6013997
112.9337750 113.2056160 114.0601634 114.3683113 114.9323562
115.5047114 115.6546560 116.1720017 116.7565054 116.9608003
117.6589821 118.3380468 118.7610110 119.2022788 119.6080695
120.7426799 120.9911136 121.4998212 121.7580603 122.4187889
122.8787540 123.5848292 123.7314557 124.2454493 125.6857933
126.4625500 126.6824022 128.0981000 128.8657833 129.1997055
129.6281377 130.2640563 131.1793070 132.0595883 132.6737907
133.6387314 134.6153749 135.9900816 136.7157589 137.5826767
138.2430694 138.9405382 139.2868186 140.2602070 141.7200948
142.5845345 144.0066001 146.0740380 147.0098534 149.2594334
153.0129648 154.7935392 155.9216465 157.8110014 165.4820578
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034134 0.0034247 0.0034302 0.0034322 0.0034371
0.0034384 78.6571187 86.8094997 97.6301793 103.2175161
107.7318855 124.5554264 129.5421802 137.0284285 146.4939925
154.1872085 158.7455024 172.9369443 175.9799824 186.1103612
188.8854302 193.0850422 204.7106834 208.4339079 215.7392865
226.0891580 231.5470621 232.2849757 240.9788813 245.2643717
248.9975132 255.0220171 264.4107742 266.1183221 276.6801457
279.9628581 281.8936911 283.8025599 288.0703228 290.8048836
293.4714650 298.1191908 301.2394198 305.3374552 313.4418739
315.6746197 320.1280048 322.5040802 326.7915550 330.3346522
335.0380774 341.2099561 343.6179723 350.4627695 351.4924825
355.8830859 357.2790756 359.8664659 363.3659482 369.0872243
369.3775901 372.3446379 374.9041040 384.7885297 387.6849982
389.7882957 394.1691399 396.3269617 400.1703447 402.5621618
404.3554625 407.8492689 410.8718145 415.8153110 417.4278387
419.2046944 424.0210216 427.7309634 430.1130045 433.9707670
435.9864865 439.9372067 441.9103738 446.1334973 447.5026255
450.7385486 452.5999270 458.3651193 460.4537681 461.4759621
464.6933571 466.2761068 468.6455619 472.0547810 473.6554036
475.0822470 476.3901006 477.1584453 480.5703196 484.2424071
485.8594979 489.2843885 490.0830657 493.8308220 496.8575890
498.5256580 501.5365071 502.9705084 505.8986968 506.9252605
508.0324157 511.8532151 514.8287753 517.1473000 518.7737395
520.7130419 524.0598794 526.1732512 528.7421226 530.0737057
531.5576514 535.6257810 536.2070557 537.0003341 539.2126771
542.8147479 543.6131334 544.8151811 547.5469060 549.4376660
551.6628065 553.1507088 556.9866929 559.0273250 559.6688911
560.1363492 562.0533368 564.4363438 566.6549506 569.1373796
570.1275062 571.5511910 573.1569320 575.0207292 577.6464323
580.4428607 581.8651580 583.4669010 583.7751060 584.0071862
587.5552752 589.3926100 590.5284064 591.7671792 595.0508456
597.4135125 598.5243966 599.6549845 601.5153052 604.4086343
606.6929825 609.7137104 610.9307092 612.3756031 613.3603713
614.9305879 615.7452427 617.7863298 618.3499522 619.8788762
620.4031885 624.4526166 625.3367786 626.4351223 627.8269532
628.9546960 630.3340407 631.6556137 634.6325768 636.9859474
637.7079043 639.2150628 642.2118450 643.4612499 644.1510713
646.0687356 646.7774898 647.9444415 650.1640114 651.2201826
651.6895231 653.1272714 654.7524362 657.4818276 659.0768404
659.1598359 660.6200854 662.1374259 662.4993453 664.2086652
665.9163121 668.2456108 670.5631457 671.1881765 672.3156482
673.5481633 676.0861637 677.5626448 678.6167668 679.1786391
680.8738202 682.5477086 683.7029448 684.9276592 686.1312086
688.0121582 688.1180076 691.1592208 692.2171643 693.2294873
694.4773733 694.8136845 696.3219216 696.8477067 698.8825941
700.3731405 701.4638461 702.5242682 703.1620747 704.5253012
706.2775299 707.0856383 710.1308540 710.7272317 711.8984542
712.7671037 713.5139089 714.5211372 716.0155842 718.7284050
719.2395640 720.4207785 720.7823545 722.1743437 723.1433428
725.0726252 726.0436897 726.6097177 727.6540026 728.4218989
729.5282921 732.7147817 733.4226369 734.0380378 735.0267632
736.7009857 738.6389401 740.2354072 741.3410815 742.8493951
744.0887635 745.6126396 746.9333431 748.1405235 749.0129527
751.1227787 751.2266946 753.1391879 753.7939448 755.0749754
757.5818390 758.4585208 760.0334520 760.7475557 762.0307714
762.6311156 764.1210349 764.5570518 766.2464644 767.7002496
768.1002326 770.3165864 770.9877308 771.2665919 771.8868100
773.2399636 774.2382633 776.2731095 778.2541647 779.1238434
779.5091799 780.8216266 782.3985837 782.7883550 785.9824841
788.5038657 789.9308022 790.8206433 793.3353589 794.6044039
795.4841725 797.2680544 797.2902026 799.2694072 800.9376079
801.7897702 802.7650494 803.8977332 805.3756918 807.9861348
808.2548359 809.4659293 809.9838742 811.9817468 812.4939347
814.5984359 815.0190569 816.8846969 818.3388830 818.9981036
820.8683393 822.0988108 823.5524742 825.6492809 826.8008939
828.6718509 829.1890681 830.3808017 830.4712818 831.7170904
832.4668716 833.9360221 834.8176404 836.3702503 837.8947470
839.8086779 841.5409338 842.9934457 843.4780734 844.4391443
845.6348732 846.8741376 848.5282853 849.0976349 850.6168356
851.2917303 853.6481635 854.7073012 856.4891459 857.4600029
858.7335947 860.4494890 861.1478893 863.7341784 864.5407317
866.7380151 867.9176320 868.7106724 870.0659006 871.1382519
871.5194754 873.6541687 874.4263026 876.2785970 877.0410682
878.4736808 879.1591616 880.1666072 882.7633452 883.2591413
883.8399311 886.8610086 887.6030697 888.7660231 889.7768238
892.1669567 893.4926063 895.3035289 897.1060708 898.1815483
898.4256510 899.4655891 900.4955581 901.2477074 902.3445942
903.7032506 905.2878780 905.5999031 907.0017636 909.4029222
909.5194667 911.3248767 915.1465786 916.3407257 917.1611275
917.8104124 919.4165730 920.4441816 920.8780060 923.3348288
924.5050355 926.5251677 927.1809121 929.9399337 930.2633646
932.5656615 934.1781606 935.7293154 935.7792995 936.7703454
937.8959065 938.4023076 939.9773448 941.6502933 942.8056841
943.4602778 943.6594363 943.8485197 945.6704290 947.2063515
948.8153446 951.0149582 952.1201198 952.9288941 955.1504182
955.9998466 957.0598334 958.0539652 960.2014670 961.9238225
962.3024350 964.1326298 964.2467973 968.2481764 969.3797168
970.8737271 971.0765634 971.7785554 972.1439354 974.7115882
974.8169606 976.6585290 978.2654567 980.1184884 981.0679557
982.6855298 984.0118603 985.3084218 986.4406127 987.2173683
987.9065420 989.1093654 990.7345858 992.8014958 994.4845504
995.9051512 996.9818667 998.0098198 999.7733217 1001.2693887
1001.6716539 1003.4673095 1004.6800745 1005.9006647 1007.7156124
1010.5915429 1012.6066558 1013.8111060 1014.7631727 1016.0273702
1016.9432892 1020.5423218 1021.4624867 1021.8246070 1024.1368521
1025.9931060 1026.6821078 1027.9435141 1029.3647948 1031.7293685
1032.9962777 1034.0759112 1035.1191952 1035.9944904 1037.3610074
1038.2677285 1039.6098464 1041.5552507 1043.6863656 1045.5673118
1048.2608448 1049.2116846 1051.2301616 1053.1946958 1056.0644173
1056.6584744 1057.8760674 1059.3222394 1061.2275556 1063.0396004
1064.9108468 1067.2046738 1068.6816586 1070.7566617 1072.0488569
1074.5760792 1076.7378906 1079.4098364 1080.5708702 1082.2142344
1083.6715646 1085.7121048 1087.8433267 1089.2035774 1090.2704493
1093.6590629 1094.5486188 1096.9094703 1098.0352477 1102.6131672
1103.8022286 1105.6200706 1106.7008757 1108.6528981 1109.9602927
1114.1910153 1115.2460048 1117.1535277 1118.4384454 1120.8871679
1121.2838648 1125.0239947 1126.0955389 1127.9457086 1132.4562047
1134.9146204 1136.8339653 1137.3383325 1140.1214230 1142.6943689
1144.2557891 1145.8654751 1147.0701410 1151.0859879 1152.3042796
1154.0037044 1155.3917611 1159.7443753 1161.3099166 1164.1700850
1167.0652288 1167.8225069 1170.4315406 1173.3722803 1174.3983867
1177.8983781 1181.2925874 1183.4017938 1185.5982763 1187.6145800
1193.2341814 1194.4611183 1196.9695422 1198.2409033 1201.4876734
1203.7427372 1207.1962039 1207.9121272 1210.4184246 1217.4142350
1221.1703400 1222.2313675 1229.0417171 1232.7189982 1234.3151005
1236.3599296 1239.3888339 1243.7352589 1247.9013361 1250.7999327
1255.3402460 1259.9189636 1266.3358367 1269.7100849 1273.7293538
1276.7826255 1279.9994075 1281.5934815 1286.0638123 1292.7394357
1296.6760560 1303.1262066 1312.4470699 1316.6444188 1326.6799772
1343.2578751 1351.0508508 1355.9650206 1364.1556250 1396.9174311
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404260321172858053.eigenfacs
Openam> file on opening on unit 10:
2404260321172858053.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404260321172858053.atom
Openam> file on opening on unit 11:
2404260321172858053.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 195
First residue number = 96
Last residue number = 290
Number of atoms found = 200
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: 9.8809E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9459E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9778E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9897E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0018E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0026E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5247
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6391
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8083
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9035
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9842
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.316
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.423
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.592
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.820
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.016
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.536
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.626
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.937
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.162
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.554
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.684
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.947
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.335
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.547
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.576
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.925
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.101
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.258
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.515
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.929
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.006
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.492
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.647
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.739
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.830
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.037
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.172
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.304
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.537
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.906
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.332
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.451
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.691
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.820
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.056
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.254
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.519
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 10.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 11.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 13.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 19.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 20.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.08
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 600 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.524700
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= 0.649 for 200 C-alpha atoms.
Bfactors> = 1.606 +/- 2.40
Bfactors> = 14.690 +/- 6.95
Bfactors> Shiftng-fct= 13.084
Bfactors> Scaling-fct= 2.902
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404260321172858053 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=0
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=100
2404260321172858053.eigenfacs
2404260321172858053.atom
making animated gifs
11 models are in 2404260321172858053.7.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 2404260321172858053.7.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 2404260321172858053.7.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 2404260321172858053 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=0
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=100
2404260321172858053.eigenfacs
2404260321172858053.atom
making animated gifs
11 models are in 2404260321172858053.8.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 2404260321172858053.8.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 2404260321172858053.8.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 2404260321172858053 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=0
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=100
2404260321172858053.eigenfacs
2404260321172858053.atom
making animated gifs
11 models are in 2404260321172858053.9.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 2404260321172858053.9.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 2404260321172858053.9.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 2404260321172858053 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=0
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=100
2404260321172858053.eigenfacs
2404260321172858053.atom
making animated gifs
11 models are in 2404260321172858053.10.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 2404260321172858053.10.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 2404260321172858053.10.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 2404260321172858053 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=0
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=100
2404260321172858053.eigenfacs
2404260321172858053.atom
making animated gifs
11 models are in 2404260321172858053.11.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 2404260321172858053.11.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 2404260321172858053.11.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 2404260321172858053 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=0
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=100
2404260321172858053.eigenfacs
2404260321172858053.atom
making animated gifs
11 models are in 2404260321172858053.12.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 2404260321172858053.12.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 2404260321172858053.12.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 2404260321172858053 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=0
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=100
2404260321172858053.eigenfacs
2404260321172858053.atom
making animated gifs
11 models are in 2404260321172858053.13.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 2404260321172858053.13.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 2404260321172858053.13.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 2404260321172858053 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=0
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=100
2404260321172858053.eigenfacs
2404260321172858053.atom
making animated gifs
11 models are in 2404260321172858053.14.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 2404260321172858053.14.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 2404260321172858053.14.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 2404260321172858053 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=0
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=100
2404260321172858053.eigenfacs
2404260321172858053.atom
making animated gifs
11 models are in 2404260321172858053.15.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 2404260321172858053.15.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 2404260321172858053.15.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 2404260321172858053 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=-20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=0
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=20
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=40
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=60
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=80
2404260321172858053.eigenfacs
2404260321172858053.atom
calculating perturbed structure for DQ=100
2404260321172858053.eigenfacs
2404260321172858053.atom
making animated gifs
11 models are in 2404260321172858053.16.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 2404260321172858053.16.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 2404260321172858053.16.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
2404260321172858053.10.pdb
2404260321172858053.11.pdb
2404260321172858053.12.pdb
2404260321172858053.13.pdb
2404260321172858053.14.pdb
2404260321172858053.15.pdb
2404260321172858053.16.pdb
2404260321172858053.7.pdb
2404260321172858053.8.pdb
2404260321172858053.9.pdb
STDERR:
real 0m3.087s
user 0m3.079s
sys 0m0.008s
../../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: 2404260321172858053.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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
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
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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
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
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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
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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