*** ***
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 = 2402172247033213122.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 2402172247033213122.atom to be opened.
Openam> File opened: 2402172247033213122.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 194
First residue number = 94
Last residue number = 288
Number of atoms found = 197
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.454995 +/- 10.400269 From: -21.607000 To: 20.709000
= 0.126421 +/- 9.168681 From: -20.850000 To: 18.951000
= 3.082695 +/- 8.136515 From: -13.571000 To: 18.687000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.5246 % Filled.
Pdbmat> 16662 non-zero elements.
Pdbmat> 1720 atom-atom interactions.
Pdbmat> Number per atom= 17.46 +/- 5.33
Maximum number = 30
Minimum number = 6
Pdbmat> Matrix trace = 34400.0
Pdbmat> Larger element = 120.246
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 197 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 591
Diagstd> Number of non-zero elements 16662
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 34400.0000006
%Diagstd-Wn: Nb on non-zero elements there: 591
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 591 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 34400.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5114096 0.8288621 0.8544743 0.9340299
1.1860055 1.4339700 1.5283607 1.7372535 1.9004150
2.0459870 2.1789072 2.4708189 2.9420506 3.0840575
3.2251081 3.3410368 3.5011968 3.8595718 3.8771150
4.0691089 4.1261127 4.3260911 4.4017065 4.6551323
4.8067764 4.9821607 5.0481161 5.7853126 5.8077505
6.0019745 6.2970420 6.3769927 6.5641355 6.9370707
7.3691311 7.6230586 7.7745638 8.0697178 8.4298500
8.5243219 8.5367097 8.8566742 9.0702500 9.4189804
9.5795584 9.8635352 9.9946839 10.2403959 10.2742850
10.5293374 10.9845034 11.1653429 11.2499744 11.3087468
11.8067446 11.8542997 12.3394561 12.6191582 12.8489434
13.2273731 13.5872319 13.7716855 14.0077050 14.3603533
14.5076362 14.8277317 15.0272428 15.3413339 15.4100004
15.5567746 15.6375169 16.3734654 16.5620566 16.7691047
16.8817134 16.9878777 17.3419691 17.4844241 17.7443866
17.8293354 17.8917762 18.2565150 18.5970102 18.6642746
18.9583957 19.2401754 19.3132134 19.6428172 19.7753223
19.9369790 20.0622800 20.4651839 20.6074325 20.9605133
21.1248096 21.3752403 21.5991474 21.7455936 21.8586293
21.9878579 22.3661208 22.6932935 22.7715693 23.0110768
23.1392226 23.3880061 23.5241642 23.7821241 24.0567245
24.0911784 24.2897989 24.5516252 24.7751157 24.9545841
25.1695300 25.4986558 25.5417540 25.7081443 25.8120814
26.1888897 26.2883501 26.5505201 26.7484277 26.8283580
26.9170108 26.9920415 27.2630422 27.3940267 27.6483250
27.7993070 27.9993713 28.1074528 28.3184445 28.6010323
28.6799830 28.7963674 29.1260889 29.1818306 29.3919914
29.4589247 29.6394337 29.9459744 30.0654954 30.2468054
30.4348493 30.6353228 30.6957621 30.8077204 30.9216636
31.1201836 31.3650648 31.7098568 31.9410217 32.0519911
32.2113930 32.4815653 32.5650472 32.8047519 33.1003632
33.2508560 33.4041731 33.5145833 33.6266695 33.9173572
34.0765688 34.1380728 34.4080037 34.5704933 34.8245321
35.0314359 35.0618456 35.2451534 35.5333068 35.5667113
35.8494164 36.0797859 36.2935059 36.3900173 36.5171713
36.6141941 36.9021071 37.0162263 37.1123172 37.2978069
37.4575065 37.5425260 37.7068379 37.8346334 38.1003719
38.1843462 38.2632043 38.4325113 38.5656437 38.6386306
38.7218603 38.9907885 39.3050428 39.5209403 39.6215759
39.7617218 39.9170753 40.0972477 40.3771084 40.4310704
40.6175124 40.7037042 40.7493497 40.7900565 40.9725899
41.1700116 41.3593684 41.5122727 41.5757620 41.6592277
41.8734733 41.9688906 42.1275287 42.2669655 42.4092938
42.4725536 42.5748716 42.7534057 43.0003066 43.2490679
43.3065553 43.4488212 43.6148547 43.7654401 43.7781270
43.9410000 44.0287725 44.2223567 44.2887030 44.4461569
44.5889699 44.7028088 44.8059078 45.0652483 45.2134656
45.2459803 45.3993927 45.6173550 45.7293487 45.8986431
46.0629136 46.2628966 46.2738014 46.4463057 46.5258711
46.7951637 46.9017830 47.0420173 47.2156528 47.3632852
47.4931126 47.6597981 47.8165735 48.0388189 48.0571916
48.2483094 48.4086332 48.6400080 48.6629621 48.7412271
48.9428905 49.0394246 49.2838188 49.4057123 49.5654336
49.6674042 49.8319731 49.9019580 50.1741722 50.2385286
50.5166065 50.5489863 50.8636674 50.9883532 51.1524847
51.2743832 51.5467944 51.7559490 51.8051775 52.0785495
52.4426980 52.6215399 52.7094128 52.9379974 52.9725326
53.3257752 53.4103175 53.5154553 53.6034444 53.7585311
53.9898589 54.3185923 54.7593653 55.0129056 55.1457270
55.2751569 55.4981410 55.6922151 55.7427684 55.8818135
55.9508248 56.1259360 56.4323268 56.5293956 56.6314587
56.8105898 57.2359980 57.2769385 57.4109130 57.6907503
57.7753410 57.8849764 58.1992272 58.2777571 58.3491597
58.6364153 58.8000636 59.0915942 59.1918001 59.2304061
59.4174350 59.4938659 59.6886105 60.0053574 60.2109047
60.2997043 60.5134965 60.5487288 60.8608884 60.9912381
61.1722492 61.4417003 61.5380698 61.7293193 61.7730217
62.2001549 62.5224312 62.5398603 62.7103059 62.9927290
63.0737908 63.3018021 63.5155844 63.5326392 63.7321776
63.9318027 64.1289424 64.3384731 64.5754875 64.8513908
64.9480452 65.4859700 65.7351549 65.8567841 66.1932918
66.3241094 66.3754514 66.6923735 66.9542411 67.2564541
67.3055238 67.4211835 67.7999974 67.9316763 67.9432694
68.3706473 68.5219683 68.7524985 68.9360633 69.2263972
69.3683406 69.6226406 69.7155031 70.1301461 70.2529957
70.4668440 70.5639101 70.8058240 71.0459680 71.4459126
71.5332278 71.9064802 72.0893647 72.2905935 72.4644879
72.6937068 72.8502336 73.3661183 73.5629760 73.8509859
74.0857717 74.2839082 74.4525344 74.9209585 75.0098198
75.1212895 75.3914302 75.5190260 75.6640381 75.8276259
76.0017582 76.4657934 76.6713862 77.2012644 77.3880016
77.7130625 77.8887399 78.1901387 78.2618072 78.3509385
78.5337429 78.5888082 78.9219975 79.0040408 79.5763253
79.7356342 80.0170521 80.0435280 80.2230034 80.6698868
80.9397162 81.1368927 81.1771932 81.3672879 81.4437720
81.7689753 81.9663510 82.3422167 82.3928588 82.5563291
82.9076716 83.0512928 83.2828043 83.4329426 84.0519539
84.3092893 84.4841010 84.5740450 84.6300676 84.8657024
85.0611318 85.3350707 85.4026336 85.4845859 85.7962248
86.2003208 86.4953290 86.6041560 86.7928879 87.0925812
87.3562059 87.5846238 87.9159304 87.9900829 88.2482768
88.6090489 88.8646340 89.1790995 89.8149796 90.1068694
90.1776565 90.5722419 90.6722341 91.0681203 91.3101479
91.6204897 91.9453841 92.2119179 92.3936547 92.6081421
92.8311218 92.9213302 93.5364812 93.6481603 93.7989645
93.9843686 94.0700534 94.2736517 94.4358651 94.8386196
95.3331418 95.4710351 95.9342850 96.7138289 96.8786330
97.2331095 97.4504876 97.9609530 98.2501083 98.5663775
98.6722405 98.9796985 99.0914396 99.3175474 99.8381670
100.1162973 100.4984529 100.7278222 101.2930589 101.5526128
101.7208672 102.1457101 102.2582459 103.0482276 103.4811728
103.7931309 104.0361216 104.6310006 104.9791246 105.0320834
105.1811331 105.6034002 106.1887261 106.4676147 106.8978567
107.1539643 107.6462150 107.7839753 108.2053704 108.4358389
109.0270583 109.2700504 109.6217144 110.1369822 110.5896874
111.3194433 111.7224110 112.0782502 112.4258409 113.0354371
113.8715209 114.0802251 114.5383063 114.9061899 115.3993882
116.1201188 116.5723530 117.4962476 117.8094108 118.3746385
119.1920791 119.3504822 119.9549021 120.4132733 121.3548026
122.0667194 122.2275070 122.4388844 122.9164606 123.5049909
123.9814781 124.8760153 125.5643028 127.1257165 128.0012201
128.4871858 129.2966302 129.7338667 130.7196452 131.7542253
132.5265561 134.0879030 134.4634178 135.2865137 135.4436945
136.2039839 138.0822628 139.1807938 139.7664782 140.4218100
141.4394580 143.0113727 144.7114985 146.3454783 147.1701064
151.9155236 154.8736052 155.3992237 156.6728729 158.5863155
166.1197895
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034316 0.0034345 0.0034416 0.0034424 0.0034511
0.0034605 77.6568386 98.8636010 100.3794452 104.9483613
118.2602064 130.0365143 134.2481185 143.1287504 149.6992070
155.3269155 160.2930319 170.6930120 186.2603217 190.7025572
195.0147302 198.4887562 203.1905667 213.3363420 213.8206371
219.0508459 220.5798433 225.8619685 227.8273308 234.2940682
238.0796304 242.3841115 243.9832133 261.1912924 261.6973086
266.0371899 272.4981597 274.2225966 278.2172477 286.0113980
294.7836701 299.8195229 302.7842610 308.4781828 315.2863752
317.0481332 317.2784218 323.1696850 327.0430379 333.2707712
336.0996230 341.0449151 343.3047495 347.4990757 348.0735993
352.3674651 359.9030230 362.8534964 364.2260872 365.1762462
373.1301693 373.8808589 381.4549798 385.7540304 389.2503290
394.9408736 400.2771266 402.9849505 406.4234645 411.5075838
413.6124560 418.1505187 420.9542819 425.3308089 426.2816172
428.3068890 429.4169438 439.4055957 441.9289099 444.6826835
446.1732638 447.5739929 452.2145007 454.0680518 457.4311918
458.5248293 459.3270359 463.9852975 468.2921148 469.1382440
472.8202538 476.3210705 477.2243001 481.2792837 482.8998438
484.8696003 486.3908813 491.2506139 492.9549397 497.1600661
499.1047257 502.0544063 504.6770832 506.3850943 507.6995084
509.1980603 513.5593182 517.3018667 518.1932605 520.9112670
522.3596988 525.1602895 526.6867360 529.5666181 532.6151651
532.9964322 535.1890759 538.0658180 540.5092438 542.4634081
544.7946487 548.3450453 548.8082600 550.5929483 551.7048396
555.7171806 556.7714340 559.5408476 561.6223857 562.4608859
563.3894304 564.1741021 566.9991898 568.3596227 570.9915662
572.5484784 574.6050261 575.7129857 577.8697726 580.7458759
581.5468730 582.7256475 586.0522877 586.6128155 588.7213510
589.3913062 591.1942907 594.2435887 595.4282861 597.2209533
599.0745337 601.0443381 601.6369355 602.7331278 603.8467121
605.7819872 608.1607314 611.4943104 613.7191599 614.7843261
616.3111624 618.8904132 619.6852178 621.9617242 624.7577611
626.1763999 627.6183645 628.6547367 629.7050961 632.4210006
633.9035878 634.4753890 636.9788587 638.4811336 640.8227556
642.7236045 643.0025075 644.6811662 647.3111582 647.6153516
650.1840704 652.2697774 654.1987972 655.0680398 656.2115119
657.0826806 659.6610824 660.6802908 661.5372691 663.1884109
664.6066949 665.3605158 666.8149635 667.9439883 670.2855972
671.0238553 671.7163951 673.2008595 674.3658548 675.0036843
675.7302908 678.0727460 680.7997959 682.6670084 683.5356230
684.7434262 686.0798062 687.6264310 690.0219203 690.4828558
692.0730553 692.8069678 693.1953192 693.5414682 695.0915174
696.7641142 698.3646202 699.6543447 700.1891696 700.8916521
702.6916183 703.4917766 704.8200852 705.9855547 707.1732112
707.7004424 708.5523681 710.0364405 712.0837192 714.1404888
714.6149547 715.7877790 717.1541158 718.3910784 718.4951958
719.8305065 720.5490820 722.1313871 722.6728873 723.9563601
725.1185243 726.0435741 726.8803365 728.9809247 730.1787315
730.4412333 731.6785143 733.4328037 734.3325650 735.6905944
737.0059307 738.6040604 738.6911049 740.0667088 740.7003282
742.8408282 743.6866006 744.7975662 746.1708515 747.3364921
748.3600527 749.6721533 750.9041528 752.6471838 752.7910970
754.2864923 755.5386582 757.3420990 757.5207795 758.1296984
759.6964333 760.4452703 762.3378031 763.2799648 764.5127546
765.2987636 766.5655923 767.1036930 769.1931148 769.6862638
771.8134894 772.0608054 774.4602205 775.4088852 776.6559032
777.5807538 779.6435878 781.2237153 781.5951639 783.6546592
786.3896586 787.7294041 788.3868452 790.0944921 790.3521673
792.9829856 793.6113311 794.3920560 795.0448500 796.1941404
797.9053490 800.3308053 803.5714218 805.4295739 806.4012892
807.3470674 808.9738782 810.3871131 810.7548344 811.7653810
812.2664715 813.5365671 815.7540879 816.4553727 817.1920905
818.4835008 821.5422634 821.8360323 822.7966355 824.7994710
825.4039425 826.1867214 828.4263213 828.9850425 829.4927285
831.5320374 832.6915899 834.7532786 835.4607551 835.7331622
837.0515984 837.5897909 838.9595357 841.1826251 842.6221216
843.2432464 844.7367803 844.9826566 847.1580147 848.0647366
849.3222564 851.1907452 851.8580176 853.1807029 853.4826620
856.4283072 858.6441373 858.7638090 859.9332467 861.8674753
862.4218416 863.9792597 865.4369417 865.5531247 866.9112907
868.2679205 869.6055828 871.0250699 872.6279660 874.4901610
875.1415874 878.7582445 880.4285672 881.2427156 883.4912849
884.3638743 884.7061048 886.8156877 888.5550225 890.5581116
890.8829236 891.6480544 894.1494602 895.0173330 895.0937008
897.9044547 898.8975467 900.4083691 901.6095841 903.5062168
904.4320272 906.0883065 906.6923745 909.3847185 910.1808722
911.5651028 912.1927143 913.7550093 915.3032372 917.8759152
918.4366192 920.8296515 921.9999115 923.2858406 924.3956518
925.8565169 926.8527749 930.1287130 931.3757488 933.1972039
934.6794292 935.9284580 936.9901451 939.9330982 940.4903449
941.1889014 942.8796691 943.6772172 944.5828101 945.6033666
946.6884967 949.5741424 950.8498406 954.1298589 955.2831036
957.2872887 958.3686950 960.2211601 960.6611250 961.2080110
962.3286785 962.6659963 964.7045226 965.2058213 968.6953621
969.6645237 971.3741770 971.5348668 972.6234561 975.3286999
976.9585069 978.1477630 978.3906547 979.5355459 979.9958127
981.9504148 983.1348269 985.3863850 985.6893549 986.6666911
988.7639859 989.6200346 990.9983936 991.8912538 995.5640074
997.0868632 998.1200365 998.6512076 998.9819107 1000.3716723
1001.5228417 1003.1342451 1003.5312755 1004.0126540 1005.8410817
1008.2070300 1009.9307783 1010.5659175 1011.6664549 1013.4115773
1014.9441903 1016.2702555 1018.1905655 1018.6198704 1020.1132703
1022.1963309 1023.6694877 1025.4791193 1029.1286483 1030.7995753
1031.2043890 1033.4580180 1034.0283322 1036.2832215 1037.6593490
1039.4212338 1041.2625433 1042.7706710 1043.7977431 1045.0086035
1046.2659209 1046.7741506 1050.2333238 1050.8601063 1051.7058805
1052.7447745 1053.2245543 1054.3636991 1055.2704129 1057.5183023
1060.2718552 1061.0383859 1063.6094855 1067.9220873 1068.8315906
1070.7852189 1071.9814952 1074.7854562 1076.3705310 1078.1015689
1078.6803691 1080.3596204 1080.9692733 1082.2018533 1085.0345810
1086.5448805 1088.6166400 1089.8582155 1092.9118211 1094.3111672
1095.2173302 1097.5020652 1098.1064678 1102.3399410 1104.6531908
1106.3170013 1107.6112473 1110.7733962 1112.6197219 1112.9003278
1113.6896995 1115.9230058 1119.0113347 1120.4798280 1122.7415086
1124.0856449 1126.6646346 1127.3853288 1129.5870070 1130.7893308
1133.8678135 1135.1306541 1136.9557834 1139.6247343 1141.9644795
1145.7260646 1147.7979110 1149.6243430 1151.4056402 1154.5230003
1158.7849362 1159.8463629 1162.1726710 1164.0375561 1166.5330118
1170.1701513 1172.4465734 1177.0835184 1178.6511174 1181.4752088
1185.5475514 1186.3350704 1189.3352220 1191.6053965 1196.2549954
1199.7587242 1200.5486319 1201.5862840 1203.9274131 1206.8062042
1209.1319168 1213.4860731 1216.8257040 1224.3680471 1228.5768708
1230.9068508 1234.7780007 1236.8640350 1241.5542774 1246.4577325
1250.1057030 1257.4481309 1259.2076494 1263.0557867 1263.7893056
1267.3313717 1276.0398223 1281.1056155 1283.7982853 1286.8044782
1291.4588479 1298.6154570 1306.3116519 1313.6659236 1317.3618493
1338.4321424 1351.4002171 1353.6915027 1359.2275978 1367.5025184
1399.6065501
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402172247033213122.eigenfacs
Openam> file on opening on unit 10:
2402172247033213122.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402172247033213122.atom
Openam> file on opening on unit 11:
2402172247033213122.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 194
First residue number = 94
Last residue number = 288
Number of atoms found = 197
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9862E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0044E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0049E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0100E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0155E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5114
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8289
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8545
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9340
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.186
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.434
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.528
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.737
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.900
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.046
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.179
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.942
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.084
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.225
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.501
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.860
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.877
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.069
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.326
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.402
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.655
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.807
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.982
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.808
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.002
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.297
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.377
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.564
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.937
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.369
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.430
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.524
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.537
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.857
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.580
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.864
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.99
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 591 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.511400
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= 0.262 for 197 C-alpha atoms.
Bfactors> = 1.571 +/- 2.48
Bfactors> = 12.897 +/- 8.31
Bfactors> Shiftng-fct= 11.326
Bfactors> Scaling-fct= 3.353
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402172247033213122 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=0
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=100
2402172247033213122.eigenfacs
2402172247033213122.atom
making animated gifs
11 models are in 2402172247033213122.7.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 2402172247033213122.7.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 2402172247033213122.7.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 2402172247033213122 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=0
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=100
2402172247033213122.eigenfacs
2402172247033213122.atom
making animated gifs
11 models are in 2402172247033213122.8.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 2402172247033213122.8.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 2402172247033213122.8.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 2402172247033213122 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=0
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=100
2402172247033213122.eigenfacs
2402172247033213122.atom
making animated gifs
11 models are in 2402172247033213122.9.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 2402172247033213122.9.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 2402172247033213122.9.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 2402172247033213122 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=0
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=100
2402172247033213122.eigenfacs
2402172247033213122.atom
making animated gifs
11 models are in 2402172247033213122.10.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 2402172247033213122.10.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 2402172247033213122.10.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 2402172247033213122 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=0
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=100
2402172247033213122.eigenfacs
2402172247033213122.atom
making animated gifs
11 models are in 2402172247033213122.11.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 2402172247033213122.11.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 2402172247033213122.11.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 2402172247033213122 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=0
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=100
2402172247033213122.eigenfacs
2402172247033213122.atom
making animated gifs
11 models are in 2402172247033213122.12.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 2402172247033213122.12.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 2402172247033213122.12.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 2402172247033213122 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=0
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=100
2402172247033213122.eigenfacs
2402172247033213122.atom
making animated gifs
11 models are in 2402172247033213122.13.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 2402172247033213122.13.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 2402172247033213122.13.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 2402172247033213122 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=0
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=100
2402172247033213122.eigenfacs
2402172247033213122.atom
making animated gifs
11 models are in 2402172247033213122.14.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 2402172247033213122.14.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 2402172247033213122.14.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 2402172247033213122 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=0
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=100
2402172247033213122.eigenfacs
2402172247033213122.atom
making animated gifs
11 models are in 2402172247033213122.15.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 2402172247033213122.15.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 2402172247033213122.15.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 2402172247033213122 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=-20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=0
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=20
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=40
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=60
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=80
2402172247033213122.eigenfacs
2402172247033213122.atom
calculating perturbed structure for DQ=100
2402172247033213122.eigenfacs
2402172247033213122.atom
making animated gifs
11 models are in 2402172247033213122.16.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 2402172247033213122.16.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 2402172247033213122.16.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
2402172247033213122.10.pdb
2402172247033213122.11.pdb
2402172247033213122.12.pdb
2402172247033213122.13.pdb
2402172247033213122.14.pdb
2402172247033213122.15.pdb
2402172247033213122.16.pdb
2402172247033213122.7.pdb
2402172247033213122.8.pdb
2402172247033213122.9.pdb
STDERR:
real 0m3.068s
user 0m3.063s
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: 2402172247033213122.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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