*** ***
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 = 2402180008403237586.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 2402180008403237586.atom to be opened.
Openam> File opened: 2402180008403237586.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 = 182
First residue number = 97
Last residue number = 287
Number of atoms found = 200
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 1.981225 +/- 7.208174 From: -13.191000 To: 20.163000
= 15.894715 +/- 10.284988 From: -4.521000 To: 38.275000
= -11.753125 +/- 9.209482 From: -32.879000 To: 7.859000
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 10.0948 % Filled.
Pdbmat> 18201 non-zero elements.
Pdbmat> 1889 atom-atom interactions.
Pdbmat> Number per atom= 18.89 +/- 6.20
Maximum number = 33
Minimum number = 4
Pdbmat> Matrix trace = 37780.0
Pdbmat> Larger element = 128.583
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 18201
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 37780.0000006
%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 = 37780.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.4954057 0.7431337 0.8514669 0.9012454
0.9550425 1.1620008 1.3284537 1.4931457 1.6227756
1.9283786 2.1086476 2.3053466 2.5846259 3.2646044
3.3772247 3.4801135 3.6061720 3.9174744 4.1151320
4.3264922 4.4161420 4.5437224 4.6078590 4.9650139
5.3587011 5.5436786 5.6813843 5.8465049 5.9451200
6.4435405 6.7172054 6.9871056 7.1974940 7.4073976
7.5588614 7.6804813 7.9194850 8.2099164 8.3173981
8.5809254 8.7857248 9.2025477 9.4922652 9.6589782
9.9319826 10.0379445 10.3445282 10.4979936 10.5724766
11.1143847 11.3576384 11.4103373 11.5688258 11.9746883
12.0916888 12.3023003 12.6363592 12.8105226 13.4829168
13.8726812 13.9207214 14.0317377 14.3505838 14.6269346
14.7807259 14.8830612 15.0608894 15.2584554 15.5192883
15.8292860 15.9805802 16.5562984 16.8682179 16.9296968
17.0023066 17.1766315 17.4096302 17.5716733 17.9063384
18.0776981 18.2113351 18.6163287 18.9458040 19.3489162
19.4173955 19.5539112 20.0958084 20.4500991 20.6300150
20.8485707 21.0569140 21.1398002 21.1905206 21.4572208
21.6797154 21.9963263 22.1976999 22.5296689 22.6123948
22.7402855 22.8514580 22.9158587 22.9764229 23.1133613
23.3761114 23.6298335 23.9600258 24.1795341 24.3604539
24.4785724 24.6624507 24.9643778 25.0723186 25.1686636
25.2096467 25.3883891 25.5666665 25.7645831 26.0556845
26.2795495 26.5610950 26.6632326 26.7507046 27.3001179
27.3768571 27.5218269 27.8684638 27.9866538 28.1061454
28.4008812 28.6137051 28.7894102 28.9864079 29.2208628
29.3721862 29.6110000 29.7437551 29.8521018 29.8931785
30.1523127 30.1969332 30.4850723 30.6551160 30.9104669
30.9787000 31.2139863 31.4226208 31.5620835 31.7459429
31.9214236 31.9759503 32.3335561 32.5762597 32.7047077
32.8815590 33.0308219 33.2426436 33.5670541 33.7494725
33.8901427 34.1010441 34.1039434 34.2756182 34.4581242
34.8961452 34.9959938 35.2565815 35.4513197 35.7042919
35.8560633 35.8898678 36.0533712 36.3465742 36.5639583
36.6944655 36.9300929 37.0212376 37.2406113 37.4865859
37.6527776 37.7858033 38.0425815 38.2422782 38.4008768
38.6316132 38.6873151 39.0371925 39.1428639 39.3765036
39.5268272 39.6818715 39.9136065 40.0712130 40.2302166
40.5129007 40.6764324 40.7657701 40.9327279 41.0657883
41.3344499 41.4401179 41.5886367 41.9398497 42.0785713
42.1792155 42.4990128 42.5433412 42.8270790 42.9187205
43.0401399 43.3832393 43.6514873 43.7083427 43.7848743
43.9478342 44.1956682 44.2576507 44.2702641 44.4585465
44.6185052 44.7068325 44.8056526 45.0311097 45.2187976
45.3547453 45.5060107 45.9186692 45.9621167 46.0432438
46.0640322 46.2838185 46.4040561 46.4288150 46.6583773
46.8324800 47.0206683 47.1315497 47.3438380 47.3822391
47.4634603 47.6892402 47.8919621 48.0285888 48.1685501
48.2688431 48.4366387 48.6240759 48.8306066 49.0750578
49.1886075 49.4456939 49.5640561 49.6968243 49.8334306
49.9741654 50.0766300 50.3010075 50.4031138 50.6703209
50.7889369 50.8474263 50.8830714 51.2367415 51.2954995
51.3406229 51.3911412 51.4698401 51.6359188 52.0327603
52.1690214 52.3631694 52.4849670 52.5804265 52.9444576
53.0062275 53.4786124 53.4871237 53.7026960 53.7644996
53.9749482 54.1259883 54.2503578 54.4184617 54.5599009
54.6368418 54.7442686 54.8279012 54.9830215 55.3519285
55.6215231 55.7251307 56.1032835 56.2662685 56.4698269
56.4993206 56.9170679 57.0086302 57.0537847 57.3636793
57.4386189 57.7543949 58.0436885 58.1387328 58.2955002
58.4070637 58.7737321 58.8672984 58.9668509 59.2668887
59.6539109 59.8934097 59.9893946 60.1107465 60.2696326
60.3318611 60.5595890 60.7815151 60.9692846 61.1164062
61.1652179 61.7667477 61.8981167 61.9130729 62.1852863
62.4796136 62.6151313 62.8873309 63.0928175 63.3185903
63.3684009 63.5312013 63.7596057 63.9333434 64.2063432
64.3319811 64.5853028 64.8418386 64.9518645 65.1156086
65.3072371 65.4904446 65.8636129 65.9666222 66.1186302
66.4519179 66.9802570 67.2219286 67.4960088 67.6324801
67.8381418 67.8701174 68.2468217 68.4163206 68.5391368
68.7915529 68.9256053 69.0222957 69.3353626 69.5507549
69.7139252 69.8210105 70.1810465 70.2831588 70.7249044
70.8634588 71.2489938 71.3410826 71.6582027 71.8377952
71.9939219 72.0920259 72.4238392 72.8309046 72.9894469
73.0310975 73.4776012 73.5972742 73.6152819 73.8161796
74.1753778 74.2618909 74.5452554 74.8748231 75.0292542
75.1026573 75.1578397 75.2779678 75.6166984 76.1218075
76.2241289 76.5616827 76.7217736 76.8833646 77.0150920
77.2693861 77.5926960 77.9578332 78.0551347 78.5030103
78.8794406 79.0348627 79.5173340 79.5795942 79.6771088
80.0023944 80.1819220 80.3335038 80.5421517 81.0126316
81.4412461 81.7542505 81.9246523 82.1454888 82.5561853
83.0125366 83.3667398 83.4718470 83.8684676 84.2382552
84.5586701 84.6611404 84.9103828 85.3859323 85.5017981
85.6991257 86.0493601 86.1238575 86.3262994 86.4642776
86.5961413 87.0372383 87.0499679 87.3225356 87.4423889
87.5732028 87.7910001 88.2644369 88.4232228 89.0506904
89.2477072 89.3617299 89.4642983 89.7184010 89.7684356
90.1450820 90.5124822 90.7944448 91.1478394 91.2190620
91.9291236 92.3900126 92.4758802 92.6853635 93.0525041
93.3412784 93.7164581 93.8330499 93.9783688 94.2051344
94.3992642 94.8334490 95.1962521 95.3665934 95.6722276
96.0181922 96.1641066 96.3054071 96.7920534 97.0490278
97.3005917 97.7101708 98.1236739 98.1965826 98.3535536
98.6141646 99.0283599 99.3294983 99.8133262 100.2361915
100.8168539 100.8788051 101.2123036 101.5721676 102.3729198
102.5478789 102.9054601 102.9888787 103.0544522 103.9026285
104.3532379 104.7521652 105.0316561 105.3662302 105.5237380
105.5768169 105.8261844 105.9646868 106.1290363 106.3333690
106.9782690 107.1939017 107.7997930 107.9227907 108.4875319
109.0765525 109.4875070 109.5743866 110.5588996 110.6265009
110.8658981 111.3663728 112.0459029 112.1830926 112.4278156
112.6817908 112.9889767 113.2694247 113.9480282 114.0773638
114.5084130 114.8838493 115.6657926 116.0379842 116.1964842
117.2556416 117.3956422 117.8365153 118.1785075 118.7765497
118.8174334 119.2669100 120.1109720 120.7977830 120.9475582
121.5989842 122.2149214 122.2707084 122.9608054 123.8874571
124.3365764 124.9869899 126.2457456 126.4610153 127.7128474
127.8162109 128.0634199 128.6252154 128.8671230 129.8209954
130.1179246 130.8907603 131.8320008 133.4055903 133.5360484
133.8137612 134.7892201 135.8013406 135.9319766 136.5238352
136.8966178 138.2527337 139.5468182 140.5742138 141.0710821
141.3440180 141.5447224 141.8994785 143.1066262 143.8168891
143.9882767 144.2352480 144.3580328 145.1820048 146.9278297
147.1064367 147.6923983 149.6710775 150.0008623 151.9796665
153.2278346 154.6534540 155.5282795 157.5752087 158.6694015
160.8010305 162.8054241 163.9679094 166.4935079 168.9087303
172.4170396 175.8540979 179.9411383 183.7145457 189.2056735
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034135 0.0034242 0.0034274 0.0034396 0.0034433
0.0034465 76.4320981 93.6114017 100.2026381 103.0900619
106.1222914 117.0572969 125.1608472 132.6925015 138.3325927
150.7965609 157.6875062 164.8782595 174.5798554 196.2052217
199.5608115 202.5778615 206.2141670 214.9306565 220.2861371
225.8724393 228.2006080 231.4734443 233.1013945 241.9666521
251.3767157 255.6785539 258.8346206 262.5689944 264.7741561
275.6497241 281.4424439 287.0410003 291.3304887 295.5480561
298.5543976 300.9466394 305.5932462 311.1463041 313.1763976
318.0990285 321.8726520 329.4195107 334.5647743 337.4899714
342.2261996 344.0469213 349.2614265 351.8426079 353.0885596
362.0245247 365.9647873 366.8128342 369.3515457 375.7745717
377.6058902 380.8802398 386.0168490 388.6679266 398.7376154
404.4599119 405.1596162 406.7719615 411.3675830 415.3095717
417.4871978 418.9299538 421.4252853 424.1803699 427.7905448
432.0419752 434.1017654 441.8520795 445.9948888 446.8068996
447.7640287 450.0536415 453.0958183 455.1995671 459.5139221
461.7074097 463.4108241 468.5352820 472.6632101 477.6652001
478.5097249 480.1888808 486.7971431 491.0695307 493.2249667
495.8307125 498.3020133 499.2817815 499.8803823 503.0162499
505.6174667 509.2961082 511.6220676 515.4335516 516.3789857
517.8371887 519.1014447 519.8324043 520.5188816 522.0677120
525.0267299 527.8683353 531.5436334 533.9729346 535.9668989
537.2647203 539.2788595 542.5698459 543.7415603 544.7852728
545.2286394 547.1581261 549.0758386 551.1969936 554.3020995
556.6782302 559.6522675 560.7272742 561.6462881 567.3845973
568.1814810 569.6838524 573.2602058 574.4745162 575.6995954
578.7102677 580.8745228 582.6552497 584.6453233 587.0049966
588.5229684 590.9106503 592.2337844 593.3114608 593.7195206
596.2873482 596.7283883 599.5686206 601.2384721 603.7373756
604.4033666 606.6942762 608.7184741 610.0678135 611.8421548
613.5308511 614.0546303 617.4787501 619.7918910 621.0126063
622.6894106 624.1011323 626.0990679 629.1466587 630.8538751
632.1672300 634.1311956 634.1581526 635.7522830 637.4426185
641.4813105 642.3983928 644.7856755 646.5639458 648.8667088
650.2443435 650.5507914 652.0309645 654.6769069 656.6317568
657.8025658 659.9111714 660.7250112 662.6797212 664.8646228
666.3367859 667.5128181 669.7770618 671.5326896 672.9237408
674.9423859 675.4288013 678.4761225 679.3937999 681.4183985
682.7178502 684.0555229 686.0499954 687.4031612 688.7656274
691.1812525 692.5748357 693.3349708 694.7533101 695.8816145
698.1542105 699.0460266 700.2975751 703.2483389 704.4104223
705.2523296 707.9208463 708.2899467 710.6479501 711.4078666
712.4134619 715.2473679 717.4552253 717.9223107 718.5505624
719.8864832 721.9134484 722.4194972 722.5224346 724.0572559
725.3586401 726.0762495 726.8782667 728.7047575 730.2217849
731.3186463 732.5371640 735.8510716 736.1991142 736.8485555
737.0148796 738.7710542 739.7300335 739.9273491 741.7543391
743.1369543 744.6285420 745.5059946 747.1830496 747.4860122
748.1263968 749.9036748 751.4958651 752.5670397 753.6627787
754.4469811 755.7571753 757.2180546 758.8244925 760.7214993
761.6010681 763.5887446 764.5021309 765.5253895 766.5768032
767.6584861 768.4450680 770.1647234 770.9460079 772.9868534
773.8910810 774.3365658 774.6079311 777.2952815 777.7408523
778.0828576 778.4655732 779.0614048 780.3172985 783.3100760
784.3350544 785.7931575 786.7065113 787.4216157 790.1426997
790.6034920 794.1185581 794.1817491 795.7805581 796.2383373
797.7951605 798.9106304 799.8279633 801.0662062 802.1065571
802.6719272 803.4606452 804.0741329 805.2107812 807.9075351
809.8726243 810.6265577 813.3723786 814.5529810 816.0250837
816.2381569 819.2501697 819.9088669 820.2335130 822.4580954
822.9951476 825.2543064 827.3185870 827.9956611 829.1112288
829.9042088 832.5051233 833.1675231 833.8717248 835.9905048
838.7156386 840.3975921 841.0707311 841.9209977 843.0329560
843.4680596 845.0584328 846.6054132 847.9120942 848.9345022
849.2734435 853.4393191 854.3464086 854.4496184 856.3259388
858.3500714 859.2804442 861.1461445 862.5519098 864.0938196
864.4336294 865.5433297 867.0978144 868.2783825 870.1302122
870.9811240 872.6942818 874.4257553 875.1673188 876.2697755
877.5582142 878.7882666 881.2884027 881.9772922 882.9928851
885.2155620 888.7276354 890.3295022 892.1427009 893.0441646
894.4009504 894.6117139 897.0909920 898.2043157 899.0101510
900.6640678 901.5411920 902.1733214 904.2170167 905.6204158
906.6821135 907.3782090 909.7146742 910.3762441 913.2327233
914.1268246 916.6101201 917.2022848 919.2385646 920.3897590
921.3893680 922.0169293 924.1363474 926.7298080 927.7379382
928.0026017 930.8351292 931.5928471 931.7068105 932.9772681
935.2445018 935.7897458 937.5734135 939.6436539 940.6121730
941.0721737 941.4178410 942.1698956 944.2872719 947.4358769
948.0724253 950.1693461 951.1622321 952.1633714 952.9787123
954.5507239 956.5456504 958.7936741 959.3918369 962.1403662
964.4443902 965.3940812 968.3362402 968.7152583 969.3085950
971.2852039 972.3743888 973.2930787 974.5562121 977.3984594
979.9806158 981.8619970 982.8847206 984.2085633 986.6658317
989.3891027 991.4976504 992.1224840 994.4767504 996.6667313
998.5604298 999.1652868 1000.6349773 1003.4331455 1004.1137271
1005.2717449 1007.3238178 1007.7597700 1008.9434897 1009.7494815
1010.5191554 1013.0895401 1013.1636221 1014.7485729 1015.4447237
1016.2039928 1017.4668736 1020.2066680 1021.1239209 1024.7405587
1025.8735063 1026.5286244 1027.1175746 1028.5751854 1028.8619559
1031.0181230 1033.1170233 1034.7249444 1036.7366922 1037.1416643
1041.1704655 1043.7771699 1044.2621024 1045.4442036 1047.5127379
1049.1368769 1051.2432339 1051.8969518 1052.7111712 1053.9804786
1055.0658951 1057.4894737 1059.5103546 1060.4578590 1062.1557961
1064.0745172 1064.8827230 1065.6647883 1068.3538806 1069.7711338
1071.1567301 1073.4088372 1075.6777375 1076.0772932 1076.9370252
1078.3628806 1080.6251564 1082.2669625 1084.8995882 1087.1952813
1090.3397634 1090.6747150 1092.4760756 1094.4165216 1098.7220119
1099.6604894 1101.5760615 1102.0224580 1102.3732338 1106.9004077
1109.2980378 1111.4163578 1112.8980640 1114.6692007 1115.5020271
1115.7825426 1117.0994787 1117.8302543 1118.6967867 1119.7731952
1123.1637118 1124.2951046 1127.4680499 1128.1110774 1131.0588305
1134.1251515 1136.2595954 1136.7103237 1141.8055091 1142.1545344
1143.3896852 1145.9675441 1149.4584326 1150.1619194 1151.4157524
1152.7155467 1154.2857068 1155.7173354 1159.1741494 1159.8318176
1162.0210040 1163.9243919 1167.8787314 1169.7562333 1170.5548646
1175.8776991 1176.5794755 1178.7866960 1180.4960293 1183.4792098
1183.6828730 1185.9196470 1190.1086755 1193.5064276 1194.2461025
1197.4579007 1200.4868210 1200.7607806 1204.1445654 1208.6733588
1210.8622303 1214.0251529 1220.1231185 1221.1629306 1227.1921656
1227.6886749 1228.8753362 1231.5678346 1232.7254058 1237.2793016
1238.6934583 1242.3666234 1246.8255748 1254.2447582 1254.8578751
1256.1620513 1260.7322447 1265.4567562 1266.0652718 1268.8185526
1270.5496459 1276.8272534 1282.7890661 1287.5025917 1289.7759633
1291.0230512 1291.9393338 1293.5573262 1299.0478601 1302.2675696
1303.0432993 1304.1603220 1304.7153081 1308.4335603 1316.2770586
1317.0768559 1319.6973716 1328.5081496 1329.9709598 1338.7146741
1344.2006851 1350.4393750 1354.2534919 1363.1361199 1367.8607000
1377.0182434 1385.5739679 1390.5119004 1401.1800079 1411.3064582
1425.8878628 1440.0299570 1456.6677728 1471.8618607 1493.6964808
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402180008403237586.eigenfacs
Openam> file on opening on unit 10:
2402180008403237586.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402180008403237586.atom
Openam> file on opening on unit 11:
2402180008403237586.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 = 182
First residue number = 97
Last residue number = 287
Number of atoms found = 200
Mean number per residue = 1.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8813E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9431E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9617E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0033E-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: 1.0073E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8515
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9012
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9550
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.162
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.328
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.493
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.928
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.109
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.585
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.265
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.377
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.480
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.606
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.115
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.326
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.416
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.544
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.965
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.359
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.544
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.681
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.847
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.945
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.717
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.987
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.197
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.407
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.559
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.680
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.919
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.210
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.317
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.581
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.786
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.203
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.492
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.932
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 11.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 14.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 17.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 17.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 18.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 18.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 19.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 19.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 20.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 20.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 20.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 20.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 21.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 21.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 21.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 21.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 22.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 22.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 22.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 22.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 22.74
%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 : 0.495400
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= 0.585 for 200 C-alpha atoms.
Bfactors> = 1.597 +/- 3.27
Bfactors> = 17.130 +/- 6.30
Bfactors> Shiftng-fct= 15.533
Bfactors> Scaling-fct= 1.928
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402180008403237586 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=0
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=100
2402180008403237586.eigenfacs
2402180008403237586.atom
making animated gifs
11 models are in 2402180008403237586.7.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 2402180008403237586.7.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 2402180008403237586.7.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 2402180008403237586 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=0
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=100
2402180008403237586.eigenfacs
2402180008403237586.atom
making animated gifs
11 models are in 2402180008403237586.8.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 2402180008403237586.8.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 2402180008403237586.8.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 2402180008403237586 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=0
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=100
2402180008403237586.eigenfacs
2402180008403237586.atom
making animated gifs
11 models are in 2402180008403237586.9.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 2402180008403237586.9.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 2402180008403237586.9.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 2402180008403237586 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=0
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=100
2402180008403237586.eigenfacs
2402180008403237586.atom
making animated gifs
11 models are in 2402180008403237586.10.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 2402180008403237586.10.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 2402180008403237586.10.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 2402180008403237586 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=0
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=100
2402180008403237586.eigenfacs
2402180008403237586.atom
making animated gifs
11 models are in 2402180008403237586.11.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 2402180008403237586.11.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 2402180008403237586.11.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 2402180008403237586 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=0
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=100
2402180008403237586.eigenfacs
2402180008403237586.atom
making animated gifs
11 models are in 2402180008403237586.12.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 2402180008403237586.12.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 2402180008403237586.12.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 2402180008403237586 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=0
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=100
2402180008403237586.eigenfacs
2402180008403237586.atom
making animated gifs
11 models are in 2402180008403237586.13.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 2402180008403237586.13.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 2402180008403237586.13.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 2402180008403237586 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=0
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=100
2402180008403237586.eigenfacs
2402180008403237586.atom
making animated gifs
11 models are in 2402180008403237586.14.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 2402180008403237586.14.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 2402180008403237586.14.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 2402180008403237586 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=0
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=100
2402180008403237586.eigenfacs
2402180008403237586.atom
making animated gifs
11 models are in 2402180008403237586.15.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 2402180008403237586.15.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 2402180008403237586.15.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 2402180008403237586 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=-20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=0
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=20
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=40
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=60
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=80
2402180008403237586.eigenfacs
2402180008403237586.atom
calculating perturbed structure for DQ=100
2402180008403237586.eigenfacs
2402180008403237586.atom
making animated gifs
11 models are in 2402180008403237586.16.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 2402180008403237586.16.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 2402180008403237586.16.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
2402180008403237586.10.pdb
2402180008403237586.11.pdb
2402180008403237586.12.pdb
2402180008403237586.13.pdb
2402180008403237586.14.pdb
2402180008403237586.15.pdb
2402180008403237586.16.pdb
2402180008403237586.7.pdb
2402180008403237586.8.pdb
2402180008403237586.9.pdb
STDERR:
real 0m3.081s
user 0m3.077s
sys 0m0.004s
../../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: 2402180008403237586.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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