*** ***
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 = 2404250617582500974.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 2404250617582500974.atom to be opened.
Openam> File opened: 2404250617582500974.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 = 183
First residue number = 1
Last residue number = 287
Number of atoms found = 201
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 2.005985 +/- 7.198605 From: -13.191000 To: 20.163000
= 15.820562 +/- 10.312845 From: -4.521000 To: 38.275000
= -11.780761 +/- 9.194993 From: -32.879000 To: 7.859000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> 1 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 10.1315 % Filled.
Pdbmat> 18450 non-zero elements.
Pdbmat> 1916 atom-atom interactions.
Pdbmat> Number per atom= 19.06 +/- 6.25
Maximum number = 33
Minimum number = 4
Pdbmat> Matrix trace = 38320.0
Pdbmat> Larger element = 128.583
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 201 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) = 603
Diagstd> Number of non-zero elements 18450
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 38320.0000006
%Diagstd-Wn: Nb on non-zero elements there: 603
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 603 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 38320.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.4955563 0.7444696 0.8513197 0.9041063
0.9608030 1.1670637 1.4884091 1.5888952 1.6351809
1.9644363 2.2699531 2.3080549 2.6189265 3.2829857
3.3889116 3.4844008 3.6398078 3.9279418 4.1163374
4.3306946 4.4702875 4.6068467 4.7576046 5.0495524
5.3638463 5.6460020 5.8025813 5.9306846 6.4477471
6.7208845 6.7501727 7.0654567 7.3709088 7.4483331
7.6164776 7.7074079 7.9568998 8.3385634 8.5154522
8.6757171 8.8540791 9.2885122 9.5585140 9.6867963
9.9878020 10.0839226 10.5123122 10.6458460 11.1273156
11.3271296 11.4174305 11.6035854 12.0770415 12.1186249
12.3070040 12.6739060 12.8397863 12.9762917 13.5760956
13.8930459 14.0413481 14.1430905 14.3545844 14.6289008
14.8041273 14.9011355 15.0975029 15.3764961 15.6902457
15.9018877 16.0601392 16.5602695 16.9815566 17.0027796
17.0564030 17.1776537 17.4200155 17.7973054 17.9303566
18.1184428 18.4174752 18.6943997 19.1209524 19.3874110
19.4611399 19.8252199 20.1778696 20.5813260 20.7051837
21.0581064 21.1279808 21.2006478 21.4964788 21.7304988
22.0277370 22.2213430 22.2769599 22.7000884 22.8262205
22.9432166 23.0905489 23.3214940 23.3914311 23.4658041
23.6624785 23.9223577 24.0004361 24.1965008 24.4039880
24.6069600 24.7095289 25.0341585 25.1810182 25.2540636
25.3021758 25.5892757 25.6614440 26.0271597 26.3255033
26.5326837 26.6950918 26.8370131 27.2589456 27.3585774
27.6359406 27.9043661 27.9893410 28.3382792 28.4704732
28.6429826 28.8340114 28.9921769 29.2295475 29.4428550
29.5840552 29.7260297 29.8185646 29.9101686 30.0177369
30.1881160 30.3674522 30.5769507 30.8069379 31.0477953
31.0704127 31.3641891 31.5967468 31.8364279 31.8768642
32.0110935 32.2044553 32.4978715 32.6551778 32.7664215
32.9299691 33.2500029 33.3936866 33.6622024 33.9665156
34.0315067 34.1011618 34.2081221 34.5528971 34.9531817
35.2677326 35.3963108 35.4521844 35.8376000 35.8942090
35.9913833 36.2061922 36.4708412 36.5880049 36.6729436
37.0211527 37.0429000 37.2695988 37.5304161 37.7513118
37.7853611 38.0680100 38.4715569 38.5589928 38.7154029
38.8787121 39.1341336 39.2368971 39.4533146 39.5142207
39.7088754 39.9312624 40.1651203 40.3277905 40.6274308
40.8583560 40.9644765 41.1771956 41.3506688 41.4779872
41.6372577 41.8045899 42.1030412 42.2568610 42.4816951
42.5580019 42.6637714 42.8787271 42.9825075 43.0401518
43.3432125 43.4209008 43.7952577 43.8215085 44.0398881
44.1199056 44.2700791 44.3476738 44.4756343 44.6760029
44.7328094 44.8238930 44.9830374 45.1099836 45.3520012
45.6882442 45.7875149 46.0300585 46.0785914 46.2017796
46.4091188 46.4421055 46.6037765 46.7901183 46.9730875
47.1553532 47.3219562 47.4727553 47.6779183 47.7204423
47.8909230 48.0243438 48.1676796 48.3296473 48.4613865
48.5805258 48.7804442 48.9415372 49.2134129 49.4491796
49.5285335 49.7477899 49.9006399 49.9951216 50.1949558
50.3596693 50.4957833 50.6634809 50.8112561 50.8206579
50.9509764 51.2885801 51.2992269 51.4221849 51.4768637
51.4912243 51.9059148 52.0844204 52.2020116 52.4707864
52.5803939 52.7260441 52.9643860 53.1211566 53.6516550
53.7485853 53.7696214 53.8774754 53.9932135 54.2042738
54.3225871 54.4565711 54.5033494 54.7425363 54.8278178
54.8857929 55.1691858 55.2651874 55.3529542 55.4911118
55.8380084 56.1393682 56.2209444 56.2955108 56.4336345
56.6764124 57.1309596 57.2705628 57.4688017 57.7546837
57.9129710 57.9996783 58.2204559 58.4624150 58.6872299
58.8166213 59.0507538 59.0759426 59.4146591 59.8415845
59.9874950 60.1970542 60.3196105 60.4353402 60.6419085
60.8583979 60.9645347 61.0191006 61.2196393 61.2928123
61.7014935 61.8921543 61.9130618 62.3470058 62.4386869
62.7175094 62.9773067 63.0595545 63.3185952 63.4498097
63.6080936 63.9433091 64.1280601 64.3696862 64.4782592
64.8975596 64.9149428 65.0691972 65.3942558 65.6510489
65.7897377 66.1257422 66.2297015 66.7474701 66.8952426
67.1897768 67.5326594 67.6910808 67.8240612 68.0227006
68.2802458 68.7264846 68.7565564 68.8937359 69.0939724
69.2822768 69.4532287 69.6984721 69.8385668 70.2777820
70.3815979 70.5484017 70.5855181 70.7058046 70.8595618
71.0598138 71.4432250 71.7087909 71.8363117 72.0190442
72.0815728 72.5675524 72.7127131 72.9797833 72.9938145
73.0979800 73.3709582 73.5976610 73.7363168 73.9959530
74.1312871 74.3185936 74.5862633 74.7347320 75.1034026
75.1128128 75.1891931 75.7147946 75.8874773 76.2042114
76.3455936 76.5441930 76.8482151 76.9718034 77.2960252
77.6128164 77.6726514 77.9713868 78.4281727 78.8595575
79.2038724 79.4016869 79.5850733 79.6289237 79.8652072
80.1473000 80.2913999 80.4514173 80.9026744 81.1598436
81.7399734 82.0646261 82.2336090 82.5558967 82.7695905
83.1414941 83.5031404 84.0071059 84.1054306 84.2677985
84.6359841 84.8185351 85.0844359 85.3741536 85.5588037
85.9963704 86.1735332 86.4630541 86.5497547 86.7339528
87.0032989 87.0931452 87.1338934 87.4519424 87.5379205
87.6505160 87.8948560 88.3467895 88.6737024 88.9705729
89.2433083 89.3258347 89.5339655 89.7723693 90.0732392
90.1143605 90.5807640 90.8029347 90.9763810 91.2468233
91.3436647 92.3188408 92.6351374 92.9360815 93.1856112
93.2744114 93.9488902 94.0643844 94.3468491 94.4035051
94.7859145 95.1599036 95.3543396 95.7792674 96.0602432
96.0664445 96.3023939 96.5388268 96.7280387 97.2992825
97.4375692 97.9126531 97.9931330 98.2255653 98.3717604
98.8563722 98.9306176 99.3674436 99.6934352 100.2757944
100.4659878 101.2178157 101.3089198 101.4818812 101.9566755
102.5665198 102.8999504 102.9890027 103.3178333 103.8894640
104.4543457 104.5614536 104.9187893 105.1243919 105.3709026
105.7061005 105.9601595 106.1347157 106.3333623 106.4960562
106.6525331 107.0318044 107.5397102 107.9161823 108.2392435
108.7291023 109.2044128 109.5643953 110.3324781 110.6264843
110.7360520 110.9807449 111.3072725 112.1830895 112.3279157
112.5175934 112.6653746 113.1578341 113.7846603 113.9143829
114.4884792 114.9328026 115.7014900 116.1288832 116.3327139
116.6980267 117.2769730 118.0834370 118.5599501 119.0303521
119.2219714 119.8591750 120.0230856 120.3813099 120.7867979
121.2937162 121.8276463 122.5212468 122.5600919 122.6106669
123.2614074 123.9351568 124.7548694 125.3053913 125.4131955
126.8804369 127.5149595 128.3173171 128.5100343 128.6265739
129.4843375 129.7238183 130.6190544 131.4257383 132.3283409
132.7559267 133.7523389 134.1948761 134.9804016 136.0947896
136.3198829 136.7845579 137.6844296 138.9181562 140.0732461
140.3135667 141.0673301 141.4747845 142.4072933 142.5092883
142.8695255 143.8169025 144.2613114 144.3550078 145.3268777
145.8748005 148.6233532 149.4404053 150.8140026 151.2032934
151.5726482 152.6728061 153.2548620 154.1153835 157.0061015
158.2748825 158.8994931 159.5786048 161.7496918 163.5972463
164.2398967 167.1992742 171.3625866 173.5619034 176.4047736
180.7284110 186.9961245 189.6211955
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034112 0.0034198 0.0034235 0.0034324 0.0034386
0.0034435 76.4437144 93.6955072 100.1939787 103.2535564
106.4418576 117.3120317 132.4818662 136.8809170 138.8603272
152.1998620 163.6076945 164.9750804 175.7344632 196.7568112
199.9058029 202.7026055 207.1736439 215.2176083 220.3183977
225.9821109 229.5953084 233.0757880 236.8587617 244.0179202
251.4973668 258.0273816 261.5808196 264.4525102 275.7396859
281.5195091 282.1322427 288.6459041 294.8192234 296.3635761
299.6900774 301.4737142 306.3142667 313.5746150 316.8831434
319.8511896 323.1223357 330.9545521 335.7302470 337.9756123
343.1865368 344.8339612 352.0824730 354.3115999 362.2350599
365.4729307 366.9268299 369.9060058 377.3771141 378.0262443
380.9530464 386.5899164 389.1116004 391.1745390 400.1130564
404.7566712 406.9112372 408.3827986 411.4249193 415.3374843
417.8175578 419.1842551 421.9372233 425.8179561 430.1403189
433.0316312 435.1810065 441.9050662 447.4907150 447.7702579
448.4757912 450.0670321 453.2309390 458.1127786 459.8219973
462.2274309 466.0261936 469.5166986 474.8430009 478.1401235
479.0484263 483.5086931 487.7900482 492.6425918 494.1227214
498.3161223 499.1421864 499.9998171 503.4761979 506.2093098
509.6596143 511.8944625 512.5346621 517.3793067 518.8147142
520.1426103 521.8100131 524.4130186 525.1987418 526.0330130
528.2328390 531.1256434 531.9916885 534.1602457 536.4455929
538.6718272 539.7933285 543.3276147 544.9189657 545.7087476
546.2283222 549.3185649 550.0926292 553.9986022 557.1647361
559.3528688 561.0621729 562.5516063 566.9565893 567.9917601
570.8636704 573.6293455 574.5020954 578.0721109 579.4188539
581.1716216 583.1064072 584.7034992 587.0922214 589.2305294
590.6417363 592.0572915 592.9780906 593.8882198 594.9551848
596.6412629 598.4108487 600.4714549 602.7254739 605.0770257
605.2973763 608.1522416 610.4027268 612.7134968 613.1024847
614.3919759 616.2447878 619.0457397 620.5421797 621.5982560
623.1476215 626.1683672 627.5198433 630.0377093 632.8791365
633.4843187 634.1322901 635.1260077 638.3186208 642.0053360
644.8876351 646.0621228 646.5718315 650.0769079 650.5901356
651.4701927 653.4113990 655.7951043 656.8476412 657.6096320
660.7242530 660.9182889 662.9375809 665.2531962 667.2080910
667.5089124 670.0008712 673.5427427 674.3077027 675.6739443
677.0975074 679.3180307 680.2093665 682.0826903 682.6089696
684.2882363 686.2017171 688.2081581 689.6003838 692.1575489
694.1218636 695.0226931 696.8249026 698.2911681 699.3653587
700.7068117 702.1134038 704.6152105 705.9011622 707.7765979
708.4119768 709.2917392 711.0763306 711.9363280 712.4135606
714.9173368 715.5577586 718.6357584 718.8511007 720.6400317
721.2944116 722.5209246 723.1538495 724.1963895 725.8258568
726.2871622 727.0262080 728.3156949 729.3426568 731.2965219
734.0024587 734.7994402 736.7430429 737.1313423 738.1160216
739.7703853 740.0332458 741.3202028 742.8007815 744.2516969
745.6942280 747.0103599 748.1996481 749.8146521 750.1489579
751.4877126 752.5337812 753.6559684 754.9220199 755.9502204
756.8788778 758.4346315 759.6859301 761.7930779 763.6156587
764.2281222 765.9178237 767.0935621 767.8194244 769.3524100
770.6136809 771.6544004 772.9346790 774.0611058 774.1327161
775.1246275 777.6883949 777.7691094 778.7006605 779.1145590
779.2232264 782.3547162 783.6988296 784.5830103 786.6002261
787.4213717 788.5112150 790.2913915 791.4601289 795.4022987
796.1204854 796.2762627 797.0744696 797.9301372 799.4881764
800.3602343 801.3466510 801.6907565 803.4479333 804.0735215
804.4985242 806.5727912 807.2742573 807.9150204 808.9226453
811.4471517 813.6339106 814.2248419 814.7646206 815.7635394
817.5163670 820.7880779 821.7902906 823.2113528 825.2563695
826.3864794 827.0048808 828.5773956 830.2973579 831.8922641
832.8088212 834.4647645 834.6427208 837.0320455 840.0339190
841.0574143 842.5252005 843.3824212 844.1910934 845.6325874
847.1406812 847.8790645 848.2584239 849.6511773 850.1587997
852.9883872 854.3052597 854.4495418 857.4386997 858.0688987
859.9826352 861.7619650 862.3245084 864.0938533 864.9887161
866.0669584 868.3460516 869.5996007 871.2363286 871.9707803
874.8013878 874.9185403 875.9574378 878.1426714 879.8651468
880.7940209 883.0403727 883.7342343 887.1819247 888.1634495
890.1165573 892.3848866 893.4309735 894.3081236 895.6167668
897.3106417 900.2380088 900.4349401 901.3327435 902.6416341
903.8707986 904.9852486 906.5816183 907.4922805 910.3414202
911.0135608 912.0924690 912.3323692 913.1094022 914.1016888
915.3924221 917.8586512 919.5629827 920.3802553 921.5501135
921.9500824 925.0527912 925.9775449 927.6765210 927.7656948
928.4274409 930.1593922 931.5952948 932.4724311 934.1126733
934.9665008 936.1469391 937.8312614 938.7642037 941.0768434
941.1357984 941.6141852 944.8995771 945.9764795 947.9485505
948.8275105 950.0608120 951.9456917 952.7108500 954.7152529
956.6696626 957.0383600 958.8770175 961.6816481 964.3228291
966.4257390 967.6318273 968.7486059 969.0154533 970.4520718
972.1644338 973.0379871 974.0071163 976.7349303 978.2860959
981.7762599 983.7240243 984.7363184 986.6641070 987.9402593
990.1572976 992.3084386 995.2983678 995.8806625 996.8414872
999.0168293 1000.0936367 1001.6600257 1003.3639329 1004.4484017
1007.0136119 1008.0503626 1009.7423373 1010.2484688 1011.3229197
1012.8919981 1013.4148582 1013.6519037 1015.5001932 1015.9992635
1016.6524667 1018.0685225 1020.6824945 1022.5691851 1024.2794836
1025.8482239 1026.3224332 1027.5174125 1028.8844981 1030.6071969
1030.8424225 1033.5066373 1034.7733204 1035.7611297 1037.2994726
1037.8497763 1043.3750601 1045.1609025 1046.8572352 1048.2616783
1048.7610238 1052.5460542 1053.1928183 1054.7729426 1055.0895948
1057.2244117 1059.3080607 1060.3897268 1062.7498091 1064.3074966
1064.3418498 1065.6481166 1066.9554562 1068.0005372 1071.1495238
1071.9104400 1074.5204606 1074.9619742 1076.2360834 1077.0366998
1079.6863597 1080.0917292 1082.4736632 1084.2478279 1087.4100333
1088.4407916 1092.5058240 1092.9973843 1093.9300058 1096.4860562
1099.7604317 1101.5465713 1102.0231215 1103.7810282 1106.8302832
1109.8353069 1110.4041756 1112.2999442 1113.3892620 1114.6939150
1116.4654970 1117.8063745 1118.7267190 1119.7731601 1120.6294792
1121.4524594 1123.4447107 1126.1071374 1128.0765379 1129.7637985
1132.3174011 1134.7896713 1136.6584985 1140.6357168 1142.1544488
1142.7199204 1143.9817550 1145.6634303 1150.1619030 1150.9040821
1151.8753848 1152.6315762 1155.1479011 1158.3428945 1159.0030028
1161.9198560 1164.1723461 1168.0589356 1170.2143114 1171.2408473
1173.0783953 1175.9846533 1180.0211000 1182.3996273 1184.7429673
1185.6962045 1188.8605670 1189.6731883 1191.4472321 1193.4521584
1195.9538778 1198.5832582 1201.9903583 1202.1808876 1202.4289047
1205.6155514 1208.9060209 1212.8973109 1215.5705193 1216.0933039
1223.1863134 1226.2410453 1230.0929106 1231.0162900 1231.5743383
1235.6739746 1236.8161342 1241.0764878 1244.9029412 1249.1704839
1251.1870467 1255.8737206 1257.9496166 1261.6260225 1266.8232620
1267.8704573 1270.0295205 1274.2002767 1279.8963055 1285.2063920
1286.3084200 1289.7588118 1291.6201178 1295.8698818 1296.3338628
1297.9712753 1302.2676300 1304.2781481 1304.7016376 1309.0862213
1311.5517093 1323.8500861 1327.4840103 1333.5709100 1335.2909504
1336.9208597 1341.7639654 1344.3192296 1348.0881028 1360.6723049
1366.1591028 1368.8521304 1371.7741420 1381.0741965 1388.9393269
1391.6647017 1404.1466697 1421.5210157 1430.6140384 1442.2828749
1459.8508778 1484.9491537 1495.3357637
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404250617582500974.eigenfacs
Openam> file on opening on unit 10:
2404250617582500974.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404250617582500974.atom
Openam> file on opening on unit 11:
2404250617582500974.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 = 183
First residue number = 1
Last residue number = 287
Number of atoms found = 201
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: 9.8682E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9174E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9390E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9908E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0027E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0056E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4956
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7445
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8513
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9041
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.167
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.488
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.589
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.635
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.964
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.270
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.308
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.619
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.283
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.484
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.640
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.928
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.116
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.331
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.470
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.607
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.758
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.050
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.364
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.646
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.803
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.931
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.448
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.721
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.750
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.065
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.371
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.448
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.616
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.707
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.339
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.515
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.676
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.854
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.289
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.559
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.687
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.988
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 11.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 11.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 12.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 12.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 14.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 14.14
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: 14.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 16.06
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: 16.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 17.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 17.06
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: 17.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 18.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 18.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 19.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 19.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 19.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 20.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 20.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 20.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 21.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 21.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 21.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 21.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 21.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 22.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 22.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 22.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 22.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 22.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 22.94
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 603 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 : 0.495600
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= 0.553 for 200 C-alpha atoms.
Bfactors> = 1.572 +/- 3.24
Bfactors> = 16.911 +/- 6.51
Bfactors> Shiftng-fct= 15.339
Bfactors> Scaling-fct= 2.008
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404250617582500974 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=0
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=100
2404250617582500974.eigenfacs
2404250617582500974.atom
making animated gifs
11 models are in 2404250617582500974.7.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 2404250617582500974.7.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 2404250617582500974.7.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 2404250617582500974 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=0
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=100
2404250617582500974.eigenfacs
2404250617582500974.atom
making animated gifs
11 models are in 2404250617582500974.8.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 2404250617582500974.8.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 2404250617582500974.8.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 2404250617582500974 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=0
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=100
2404250617582500974.eigenfacs
2404250617582500974.atom
making animated gifs
11 models are in 2404250617582500974.9.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 2404250617582500974.9.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 2404250617582500974.9.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 2404250617582500974 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=0
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=100
2404250617582500974.eigenfacs
2404250617582500974.atom
making animated gifs
11 models are in 2404250617582500974.10.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 2404250617582500974.10.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 2404250617582500974.10.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 2404250617582500974 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=0
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=100
2404250617582500974.eigenfacs
2404250617582500974.atom
making animated gifs
11 models are in 2404250617582500974.11.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 2404250617582500974.11.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 2404250617582500974.11.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 2404250617582500974 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=0
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=100
2404250617582500974.eigenfacs
2404250617582500974.atom
making animated gifs
11 models are in 2404250617582500974.12.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 2404250617582500974.12.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 2404250617582500974.12.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 2404250617582500974 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=0
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=100
2404250617582500974.eigenfacs
2404250617582500974.atom
making animated gifs
11 models are in 2404250617582500974.13.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 2404250617582500974.13.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 2404250617582500974.13.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 2404250617582500974 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=0
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=100
2404250617582500974.eigenfacs
2404250617582500974.atom
making animated gifs
11 models are in 2404250617582500974.14.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 2404250617582500974.14.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 2404250617582500974.14.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 2404250617582500974 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=0
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=100
2404250617582500974.eigenfacs
2404250617582500974.atom
making animated gifs
11 models are in 2404250617582500974.15.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 2404250617582500974.15.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 2404250617582500974.15.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 2404250617582500974 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=-20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=0
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=20
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=40
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=60
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=80
2404250617582500974.eigenfacs
2404250617582500974.atom
calculating perturbed structure for DQ=100
2404250617582500974.eigenfacs
2404250617582500974.atom
making animated gifs
11 models are in 2404250617582500974.16.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 2404250617582500974.16.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 2404250617582500974.16.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
2404250617582500974.10.pdb
2404250617582500974.11.pdb
2404250617582500974.12.pdb
2404250617582500974.13.pdb
2404250617582500974.14.pdb
2404250617582500974.15.pdb
2404250617582500974.16.pdb
2404250617582500974.7.pdb
2404250617582500974.8.pdb
2404250617582500974.9.pdb
STDERR:
real 0m3.098s
user 0m3.086s
sys 0m0.012s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404250617582500974.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
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
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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