*** ***
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 = 2404140250094149148.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 2404140250094149148.atom to be opened.
Openam> File opened: 2404140250094149148.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 = 192
First residue number = 97
Last residue number = 288
Number of atoms found = 199
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 5.875578 +/- 9.055657 From: -14.989000 To: 24.995000
= -10.903141 +/- 7.996336 From: -31.765000 To: 9.305000
= -32.217467 +/- 10.236146 From: -50.397000 To: -10.059000
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 9.7898 % Filled.
Pdbmat> 17475 non-zero elements.
Pdbmat> 1809 atom-atom interactions.
Pdbmat> Number per atom= 18.18 +/- 5.86
Maximum number = 31
Minimum number = 5
Pdbmat> Matrix trace = 36180.0
Pdbmat> Larger element = 135.144
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 199 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) = 597
Diagstd> Number of non-zero elements 17475
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 36180.0000006
%Diagstd-Wn: Nb on non-zero elements there: 597
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 597 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 36180.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.7644841 0.8468500 0.8993899 0.9342956
1.1587411 1.3537992 1.5488039 1.9122654 2.1179463
2.1372559 2.2498157 2.4039379 2.7005403 2.9627156
3.1535357 3.3079084 3.4189139 3.7790214 3.9313855
3.9630006 4.2273334 4.4392868 4.6907439 4.7277229
5.1718494 5.6182219 5.7852344 5.8656983 6.0991523
6.3968573 6.5528974 6.9530551 7.1598508 7.3292520
7.4726306 7.5301498 7.5631152 8.0974853 8.2695019
8.4331028 8.6205699 8.8577121 9.3410718 9.5376190
9.8339387 10.0486214 10.3203353 10.4318988 10.6171140
10.6857038 11.1842850 11.3671386 11.6110784 11.7549144
12.0839488 12.3641384 12.5657694 12.7723962 12.8997046
13.4341106 13.8803125 14.0756908 14.2225911 14.5175354
14.8380226 15.1160868 15.3268090 15.6061754 15.7067560
15.8082709 15.9859205 16.0867096 16.3056050 16.4049309
16.8068023 16.9972058 17.2729787 17.5235855 17.8126281
17.9511098 18.2593716 18.3761643 18.6564765 18.9355417
19.1445709 19.2553254 19.4120295 19.7941945 19.9864625
20.1259172 20.6224831 20.9653070 21.0130957 21.3865138
21.5386719 21.7329440 21.9162338 22.1539442 22.4372681
22.6323514 22.8806238 23.0511132 23.1434137 23.2292465
23.5741597 23.6766774 23.9722067 24.1614448 24.2702605
24.6431258 24.6981966 24.8671901 25.0195602 25.3401556
25.5155110 25.6322972 25.7150086 26.0521869 26.2030028
26.4114624 26.7278415 26.9242573 27.0587751 27.2321134
27.3399316 27.6626393 27.9319022 28.0464080 28.3615260
28.4136462 28.6338120 28.7868455 28.9788798 29.1003897
29.3600598 29.6512505 29.7032577 29.8852181 30.0510700
30.2252553 30.2502960 30.5273653 30.7022289 30.7763102
30.9215938 31.1623991 31.4661947 31.5689661 31.8265104
31.8905387 32.0685724 32.3100870 32.6586410 32.7383656
32.8940098 33.1716579 33.2515496 33.4518987 33.4907914
33.5767849 33.8513520 33.9950133 34.2014687 34.4493875
34.6391429 34.7423095 34.8494283 35.0431683 35.1383961
35.2959447 35.3384224 35.7662669 35.8753040 36.0600095
36.1481776 36.2556255 36.4778487 36.7697248 36.8853633
36.9186753 37.2159536 37.2639851 37.4453369 37.8247406
37.9828822 38.0791816 38.3127049 38.4370714 38.4687328
38.9119607 39.0607750 39.2466830 39.4339499 39.5267985
39.6493917 39.7905463 39.8321541 40.0367935 40.2309533
40.2986452 40.6033412 40.7842252 40.9747390 41.0559051
41.2137592 41.3185950 41.4560605 41.6258000 41.9263697
42.0989716 42.2712895 42.4531333 42.6746816 42.8869818
42.9780652 43.1433691 43.2206064 43.5121842 43.5318287
43.5971914 43.7536325 44.0898100 44.1812335 44.3176443
44.4400792 44.5117364 44.7528740 44.9845753 45.0661349
45.1769941 45.4736471 45.6347380 45.6814347 45.9890546
46.0827308 46.2634929 46.4350955 46.5271172 46.5337087
46.7446927 46.8791241 46.9149957 47.1955300 47.2642747
47.3907531 47.6936720 47.7517145 48.0282102 48.1064550
48.3891034 48.5042662 48.7699705 48.8284743 48.8965019
49.0690177 49.2933758 49.3962624 49.5265371 49.7602817
49.9698935 50.1089261 50.1631240 50.2034244 50.3926499
50.5639171 51.0576135 51.1597136 51.4621891 51.6388491
51.6902314 51.7626845 51.9843676 52.1599209 52.3128660
52.7015681 52.7277563 52.8404121 52.9390650 53.1098671
53.5229740 53.5678192 53.6571522 53.8094472 53.9552137
54.5339978 54.7238707 54.8687866 55.0706174 55.2242264
55.2845421 55.4383463 55.5223135 55.6642617 55.9461864
56.2461838 56.3501916 56.4316532 56.4574547 56.6503112
56.8454487 57.0464796 57.1053474 57.1569195 57.3759976
57.6018861 57.7623812 57.8569966 58.1974871 58.3360184
58.4163152 58.6057052 58.6779185 58.9619532 59.0702962
59.3383389 59.5532256 59.7285280 59.9397271 60.1691052
60.4154960 60.5912982 60.7517361 61.0295330 61.2115936
61.3230316 61.4165327 61.6004440 61.6587960 61.9353353
62.0741255 62.2458170 62.4408117 62.6413251 62.9830889
63.0641692 63.1284527 63.7045532 63.9039364 64.0978902
64.2827103 64.3598830 64.5041463 64.7673778 64.8997370
65.2239329 65.6616032 65.9593598 66.0368325 66.1976438
66.2656813 66.6251283 66.7513270 66.9893152 67.1950377
67.3237459 67.4063516 67.6457752 67.7409031 68.0757793
68.3493036 68.5219724 68.7499543 68.7910997 68.9504065
69.0174157 69.2616402 69.7705284 69.8686141 70.1632802
70.3200041 70.4802230 70.6636208 70.7842208 70.9731847
71.2533895 71.5941817 71.6953015 71.8313636 71.8574402
72.2878917 72.4708124 72.6704409 73.0001717 73.1067186
73.2870941 73.4622003 73.5992194 73.7522593 73.8820906
74.2291276 74.5468658 74.8446991 74.8992030 75.0710928
75.5385813 75.9988080 76.0802404 76.5081947 76.6082078
76.6468560 76.7244982 77.0258737 77.4200550 77.6977054
77.7763093 77.9792142 78.1707954 78.3881115 78.6787861
79.0420511 79.1722996 79.4214465 79.6624813 79.7347246
80.0235075 80.1701375 80.4159803 80.7761616 81.1656053
81.3480069 81.3827486 81.4750467 81.8090457 81.9687184
82.2500275 82.5311903 82.6893135 82.9249892 83.0706387
83.4720019 83.6264994 84.0920091 84.3589961 84.5366748
84.7412920 84.7902634 85.0328682 85.3057003 85.6606035
86.0130057 86.1861221 86.4890077 86.6631630 86.9682909
87.1511388 87.6085580 87.8098481 87.9967127 88.3988212
88.8621335 89.0527209 89.3361482 89.4933272 89.7072948
89.9590216 89.9963288 90.4603189 90.4957541 91.1783418
91.4715964 91.5591505 91.9781747 92.1999197 92.6059863
92.6834617 92.9032197 93.0008756 93.2807308 93.5088958
93.6404493 94.0940469 94.4906571 94.7766955 94.9004486
95.3097907 95.5912460 96.1800133 96.2471304 96.6099340
97.0340414 97.4610075 97.5482901 97.8867650 97.9390075
98.1274120 98.6099683 99.2835095 99.6885125 99.9511205
100.0690739 100.2029250 100.6457614 100.7784118 101.1652529
101.2192778 101.9055798 102.1876685 102.4004776 102.4212252
102.8742876 103.3192708 103.4878319 103.8558666 104.0164114
104.4798678 104.6856822 104.9295103 105.3254642 105.6644822
105.8818869 106.4283401 106.6279302 107.2458677 107.6897668
108.0613937 108.6918237 109.2712122 109.9008075 110.1240005
110.6284036 110.7530400 111.2699060 111.3838873 112.2576850
112.5003682 112.7113372 113.2284864 113.7830339 114.1688315
114.4016190 114.9400662 115.7190708 116.2905132 116.8753789
116.9086295 116.9968516 117.1536888 117.2551909 118.9324394
119.5752985 119.6822111 119.9829611 120.8818679 121.3765578
121.7479834 121.8577772 122.3916432 122.6356064 123.4767489
123.6108792 123.8398740 124.7865928 125.7350326 126.5511528
126.9040985 127.2046539 127.6519615 128.0963283 129.0977119
130.0361345 130.4216142 132.0726102 133.0172591 133.8512492
134.6724245 135.6694854 135.9153069 137.1735643 137.6510718
138.5346121 139.1487614 139.4447614 140.1117663 141.5276249
142.3362130 142.9391460 143.4770083 147.1628891 148.3255984
148.4027502 149.6117539 149.9942131 150.3908805 151.8350701
153.7329363 155.8614376 159.9411134 162.7515650 168.5816335
170.1833681 187.3187252
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034189 0.0034258 0.0034285 0.0034343 0.0034399
0.0034603 94.9466217 99.9306091 102.9838857 104.9632908
116.8929930 126.3491749 135.1429819 150.1652209 158.0348090
158.7535869 162.8803708 168.3669711 178.4516679 186.9133234
192.8386836 197.5022354 200.7887430 211.0984079 215.3119318
216.1759373 223.2690542 228.7978212 235.1885325 236.1137541
246.9552221 257.3918113 261.1895285 262.9996321 268.1822430
274.6493737 277.9789845 286.3407214 290.5676546 293.9849572
296.8465716 297.9868414 298.6383913 309.0084561 312.2733742
315.3471983 318.8330029 323.1886197 331.8895940 335.3630911
340.5328626 344.2298452 348.8527770 350.7332693 353.8331515
354.9742463 363.1611591 366.1178119 370.0254185 372.3102704
377.4850172 381.8362972 384.9371465 388.0891226 390.0184595
398.0152748 404.5711434 407.4085500 409.5289821 413.7535446
418.2955976 422.1968304 425.1294123 428.9863983 430.3665706
431.7550893 434.1742919 435.5408466 438.4940848 439.8276043
445.1822349 447.6968580 451.3140963 454.5762756 458.3099445
460.0880279 464.0215970 465.5032454 469.0402287 472.5351801
475.1361771 476.5085655 478.4436026 483.1302129 485.4709494
487.1616816 493.1349215 497.2169133 497.7832735 502.1867830
503.9700643 506.2377891 508.3680439 511.1175688 514.3754931
516.6068009 519.4326087 521.3642306 522.4070024 523.3748401
527.2461176 528.3913003 531.6787303 533.7731579 534.9737826
539.0675343 539.6695342 541.5126884 543.1691751 546.6381262
548.5262501 549.7801369 550.6664494 554.2648953 555.8668969
558.0736338 561.4062251 563.4652612 564.8710878 566.6774798
567.7981747 571.1393558 573.9123053 575.0874686 578.3091686
578.8403060 581.0785780 582.6292971 584.5693991 585.7936812
588.4014684 591.3121286 591.8304712 593.6404634 595.2854263
597.0081626 597.2554127 599.9843773 601.7003068 602.4257900
603.8460306 606.1927288 609.1403841 610.1343273 612.6180547
613.2339747 614.9433275 617.2546128 620.5750836 621.3320804
622.8072920 625.4302302 626.1829308 628.0665540 628.4315574
629.2378446 631.8053366 633.1445723 635.0642394 637.3618031
639.1147624 640.0658000 641.0517785 642.8312223 643.7040589
645.1455193 645.5336102 649.4296109 650.4187845 652.0909891
652.8876957 653.8573072 655.8581037 658.4767873 659.5114089
659.8091515 662.4602987 662.8876516 664.4987239 667.8566569
669.2513236 670.0991754 672.1507500 673.2407967 673.5180212
677.3869684 678.6810269 680.2941854 681.9152779 682.7176025
683.7755140 684.9915769 685.3496210 687.1078720 688.7719338
689.3511484 691.9523146 693.4918925 695.1097472 695.7978711
697.1342101 698.0203002 699.1804800 700.6103956 703.1353132
704.5811558 706.0216657 707.5386278 709.3824257 711.1447723
711.8995368 713.2672910 713.9054682 716.3095189 716.4711971
717.0088833 718.2941640 721.0483612 721.7955478 722.9089711
723.9068605 724.4902553 726.4500296 728.3281443 728.9880962
729.8841722 732.2766290 733.5725315 733.9477578 736.4148226
737.1644512 738.6088207 739.9773932 740.7102470 740.7627128
742.4401244 743.5069361 743.7913452 746.0118292 746.5549494
747.5531668 749.9385187 750.3947121 752.5640733 753.1768406
755.3862369 756.2845868 758.3532055 758.8079244 759.3363237
760.6746833 762.4117154 763.2069644 764.2127199 766.0139793
767.6256748 768.6928260 769.1084234 769.4173069 770.8659779
772.1748202 775.9353466 776.7107799 779.0034994 780.3394395
780.7275748 781.2745477 782.9457352 784.2666405 785.4156255
788.3281757 788.5240175 789.3659306 790.1024591 791.3760226
794.4478583 794.7806100 795.4430467 796.5710993 797.6493004
801.9161284 803.3109454 804.3738780 805.8519348 806.9750375
807.4156044 808.5379592 809.1500353 810.1837102 812.2328014
814.4075872 815.1602219 815.7492195 815.9356853 817.3280999
818.7345726 820.1810009 820.6040748 820.9745366 822.5463987
824.1639850 825.3113626 825.9870205 828.4139368 829.3993151
829.9699332 831.3142564 831.8262668 833.8370937 834.6028332
836.4942740 838.0075372 839.2400214 840.7224815 842.3295888
844.0524849 845.2796415 846.3979972 848.3309339 849.5953433
850.3683518 851.0163961 852.2896248 852.6932015 854.6032241
855.5602237 856.7426078 858.0834983 859.4601571 861.8015250
862.3560603 862.7954628 866.7233906 868.0786714 869.3950193
870.6475254 871.1699837 872.1458050 873.9235397 874.8160629
876.9983402 879.9358690 881.9287413 882.4465247 883.5203279
883.9742497 886.3684918 887.2075567 888.7877280 890.1514044
891.0035132 891.5499726 893.1319370 893.7597065 895.9661269
897.7642913 898.8975736 900.3917085 900.6611014 901.7033761
902.1414284 903.7361738 907.0501224 907.6874788 909.5995203
910.6148410 911.6516348 912.8369763 913.6156035 914.8342742
916.6383950 918.8278388 919.4764873 920.3485573 920.5155966
923.2685873 924.4359906 925.7083428 927.8060948 928.4829346
929.6276471 930.7375730 931.6051576 932.5732302 933.3937063
935.5832945 937.5835409 939.4546137 939.7966196 940.8743939
943.7993902 946.6701223 947.1771628 949.8373815 950.4580023
950.6977211 951.1791211 953.0454163 955.4809177 957.1926980
957.6767539 958.9251467 960.1023787 961.4360030 963.2169262
965.4379824 966.2330978 967.7522207 969.2196155 969.6589925
971.4133591 972.3029302 973.7925787 975.9709398 978.3208204
979.4194824 979.6286032 980.1839556 982.1909849 983.1490248
984.8346181 986.5164572 987.4610485 988.8672459 989.7352882
992.1234043 993.0411357 995.8011984 997.3807498 998.4305496
999.6381472 999.9269472 1001.3564383 1002.9616022 1005.0457819
1007.1110069 1008.1239918 1009.8938734 1010.9101289 1012.6881965
1013.7522088 1016.4091037 1017.5760888 1018.6582444 1020.9830144
1023.6550854 1024.7522415 1026.3816812 1027.2841980 1028.5115199
1029.9535572 1030.1671027 1032.8192822 1033.0215509 1036.9101488
1038.5763039 1039.0732337 1041.4481997 1042.7028285 1044.9964403
1045.4334778 1046.6721368 1047.2221005 1048.7965503 1050.0784468
1050.8168416 1053.3588635 1055.5765041 1057.1729966 1057.8629646
1060.1419942 1061.7061706 1064.9707912 1065.3423098 1067.3483250
1069.6885332 1072.0393545 1072.5192871 1074.3783999 1074.6650610
1075.6982268 1078.3399368 1082.0163926 1084.2210584 1085.6481930
1086.2885969 1087.0148570 1089.4141832 1090.1318669 1092.2221159
1092.5137145 1096.2112694 1097.7274529 1098.8698844 1098.9812013
1101.4092023 1103.7887073 1104.6887331 1106.6512968 1107.5063208
1109.9708859 1111.0636112 1112.3567724 1114.4535482 1116.2456894
1117.3934371 1120.2731434 1121.3231020 1124.5675924 1126.8925261
1128.8352494 1132.1232727 1135.1366890 1138.4021884 1139.5575694
1142.1643564 1142.8075690 1145.4711115 1146.0576534 1150.5442366
1151.7872118 1152.8666639 1155.5084646 1158.3346158 1160.2967035
1161.4790097 1164.2091327 1168.1476755 1171.0283894 1173.9694521
1174.1364347 1174.5793672 1175.3663800 1175.8754395 1184.2555908
1187.4518735 1187.9826069 1189.4743143 1193.9217430 1196.3622164
1198.1913181 1198.7314681 1201.3544545 1202.5511879 1206.6682156
1207.3234277 1208.4412209 1213.0515123 1217.6526819 1221.5980565
1223.3003623 1224.7481177 1226.8996049 1229.0332181 1233.8278043
1238.3040853 1240.1381446 1247.9628602 1252.4179331 1256.3379964
1260.1859105 1264.8422648 1265.9876389 1271.8341791 1274.0459128
1278.1282288 1280.9581840 1282.3199001 1285.3830962 1291.8613032
1295.5464353 1298.2874885 1300.7278422 1317.3295469 1322.5233081
1322.8672201 1328.2448397 1329.9414820 1331.6988701 1338.0776828
1346.4143803 1355.7031938 1373.3313613 1385.3447619 1409.9392774
1416.6215286 1486.2294992
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404140250094149148.eigenfacs
Openam> file on opening on unit 10:
2404140250094149148.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404140250094149148.atom
Openam> file on opening on unit 11:
2404140250094149148.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 = 192
First residue number = 97
Last residue number = 288
Number of atoms found = 199
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: 9.9126E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9525E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9683E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0035E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0154E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7645
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8469
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8994
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9343
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.159
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.354
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.549
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.912
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.118
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.250
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.404
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.701
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.963
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.154
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.308
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.779
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.931
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.963
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.227
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.439
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.691
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.728
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.172
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.618
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.866
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.099
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.397
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.553
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.953
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.160
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.329
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.473
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.530
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.563
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.097
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.270
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.433
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.621
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.858
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.538
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.834
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 14.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 15.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 17.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 18.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 19.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 20.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 21.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 21.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 22.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 22.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 22.63
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 597 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 : 0.764500
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= 0.523 for 199 C-alpha atoms.
Bfactors> = 1.481 +/- 2.45
Bfactors> = 16.068 +/- 6.58
Bfactors> Shiftng-fct= 14.587
Bfactors> Scaling-fct= 2.682
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404140250094149148 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=0
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=100
2404140250094149148.eigenfacs
2404140250094149148.atom
making animated gifs
11 models are in 2404140250094149148.7.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 2404140250094149148.7.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 2404140250094149148.7.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 2404140250094149148 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=0
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=100
2404140250094149148.eigenfacs
2404140250094149148.atom
making animated gifs
11 models are in 2404140250094149148.8.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 2404140250094149148.8.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 2404140250094149148.8.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 2404140250094149148 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=0
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=100
2404140250094149148.eigenfacs
2404140250094149148.atom
making animated gifs
11 models are in 2404140250094149148.9.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 2404140250094149148.9.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 2404140250094149148.9.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 2404140250094149148 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=0
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=100
2404140250094149148.eigenfacs
2404140250094149148.atom
making animated gifs
11 models are in 2404140250094149148.10.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 2404140250094149148.10.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 2404140250094149148.10.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 2404140250094149148 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=0
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=100
2404140250094149148.eigenfacs
2404140250094149148.atom
making animated gifs
11 models are in 2404140250094149148.11.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 2404140250094149148.11.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 2404140250094149148.11.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 2404140250094149148 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=0
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=100
2404140250094149148.eigenfacs
2404140250094149148.atom
making animated gifs
11 models are in 2404140250094149148.12.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 2404140250094149148.12.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 2404140250094149148.12.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 2404140250094149148 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=0
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=100
2404140250094149148.eigenfacs
2404140250094149148.atom
making animated gifs
11 models are in 2404140250094149148.13.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 2404140250094149148.13.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 2404140250094149148.13.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 2404140250094149148 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=0
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=100
2404140250094149148.eigenfacs
2404140250094149148.atom
making animated gifs
11 models are in 2404140250094149148.14.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 2404140250094149148.14.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 2404140250094149148.14.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 2404140250094149148 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=0
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=100
2404140250094149148.eigenfacs
2404140250094149148.atom
making animated gifs
11 models are in 2404140250094149148.15.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 2404140250094149148.15.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 2404140250094149148.15.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 2404140250094149148 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=-20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=0
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=20
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=40
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=60
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=80
2404140250094149148.eigenfacs
2404140250094149148.atom
calculating perturbed structure for DQ=100
2404140250094149148.eigenfacs
2404140250094149148.atom
making animated gifs
11 models are in 2404140250094149148.16.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 2404140250094149148.16.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 2404140250094149148.16.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
2404140250094149148.10.pdb
2404140250094149148.11.pdb
2404140250094149148.12.pdb
2404140250094149148.13.pdb
2404140250094149148.14.pdb
2404140250094149148.15.pdb
2404140250094149148.16.pdb
2404140250094149148.7.pdb
2404140250094149148.8.pdb
2404140250094149148.9.pdb
STDERR:
real 0m3.050s
user 0m3.046s
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: 2404140250094149148.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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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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