*** ***
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 = 2402180110433256074.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 2402180110433256074.atom to be opened.
Openam> File opened: 2402180110433256074.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 182
First residue number = 97
Last residue number = 287
Number of atoms found = 200
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 1.981295 +/- 7.208085 From: -13.191000 To: 20.163000
= 15.894745 +/- 10.284961 From: -4.521000 To: 38.275000
= -11.752980 +/- 9.209533 From: -32.879000 To: 7.859000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 10.0948 % Filled.
Pdbmat> 18201 non-zero elements.
Pdbmat> 1889 atom-atom interactions.
Pdbmat> Number per atom= 18.89 +/- 6.20
Maximum number = 33
Minimum number = 4
Pdbmat> Matrix trace = 37780.0
Pdbmat> Larger element = 128.583
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 200 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 600
Diagstd> Number of non-zero elements 18201
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 37780.0000006
%Diagstd-Wn: Nb on non-zero elements there: 600
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 600 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 37780.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.4954034 0.7431313 0.8514039 0.9010129
0.9549935 1.1608624 1.3280908 1.4929911 1.6227576
1.9266282 2.1075574 2.3053494 2.5844084 3.2642851
3.3770327 3.4799989 3.6060356 3.9173886 4.1145507
4.3264979 4.4156713 4.5434832 4.6075672 4.9649331
5.3587824 5.5436205 5.6801549 5.8462955 5.9451563
6.4434676 6.7161301 6.9861295 7.1972356 7.4064653
7.5588127 7.6798556 7.9119946 8.2083081 8.3158429
8.5807732 8.7855796 9.2010923 9.4908886 9.6586359
9.9300065 10.0378388 10.3437077 10.4982193 10.5723881
11.1095369 11.3575516 11.4103362 11.5679695 11.9738682
12.0913216 12.3018768 12.6358929 12.8097210 13.4824365
13.8715328 13.9178901 14.0314158 14.3503669 14.6268756
14.7797671 14.8828443 15.0606131 15.2589438 15.5173787
15.8275038 15.9796675 16.5564139 16.8680865 16.9297381
17.0008681 17.1776531 17.4089131 17.5723241 17.9024995
18.0763537 18.2109829 18.6162973 18.9435278 19.3472349
19.4124928 19.5534622 20.0940972 20.4463864 20.6304413
20.8435415 21.0569357 21.1380980 21.1896268 21.4508871
21.6792105 21.9903068 22.1928982 22.5296457 22.6083408
22.7385526 22.8475691 22.9089902 22.9763396 23.1093827
23.3725436 23.6243040 23.9562407 24.1786176 24.3592019
24.4770834 24.6606376 24.9635244 25.0708212 25.1677020
25.2056966 25.3807214 25.5682009 25.7610747 26.0525185
26.2841924 26.5607841 26.6644659 26.7468138 27.3007211
27.3799374 27.5217240 27.8682240 27.9846393 28.1055646
28.3928749 28.6134367 28.7879969 28.9822423 29.2207761
29.3720321 29.6109606 29.7418940 29.8500421 29.8908176
30.1528319 30.1960051 30.4857168 30.6565976 30.9089322
30.9790193 31.2145327 31.4220808 31.5618213 31.7430039
31.9201083 32.0110951 32.3275507 32.5731520 32.7064138
32.8831307 33.0321632 33.2380759 33.5666363 33.7471486
33.8892439 34.1010465 34.1044118 34.2645062 34.4586297
34.8984920 34.9969996 35.2601792 35.4549511 35.7035637
35.8553308 35.8908282 36.0533626 36.3530468 36.5697788
36.6972046 36.9307695 37.0212422 37.2412594 37.4869296
37.6532516 37.7857845 38.0447227 38.2451057 38.4107733
38.6311618 38.6914020 39.0586998 39.1445089 39.3773404
39.5304421 39.6821363 39.9112925 40.0720304 40.2322969
40.5139526 40.6764324 40.7658260 40.9335093 41.0663000
41.3347523 41.4422873 41.5886413 41.9398421 42.0781370
42.1868102 42.4999741 42.5457322 42.8275643 42.9197946
43.0401399 43.3830668 43.6538104 43.7082277 43.7862484
43.9519149 44.1989272 44.2647563 44.2703071 44.4606500
44.6191167 44.7123379 44.8050299 45.0331676 45.2272908
45.3562692 45.5105375 45.9195654 45.9643941 46.0435583
46.0641745 46.2860891 46.4068688 46.4296894 46.6557133
46.8322360 47.0212283 47.1353438 47.3433140 47.3834485
47.4656213 47.6875358 47.8918225 48.0323674 48.1685730
48.2692016 48.4368878 48.6239192 48.8307408 49.0764853
49.1878486 49.4475934 49.5641401 49.6952990 49.8342997
49.9748975 50.0782449 50.3062290 50.4151109 50.6740603
50.7904369 50.8112599 50.8830661 51.2563092 51.2956127
51.3460738 51.3911714 51.4699729 51.6373308 52.0331688
52.1684428 52.3626321 52.4901398 52.5804418 52.9496921
53.0059758 53.4799872 53.4893636 53.7055361 53.7696547
53.9761448 54.1279848 54.2505210 54.4235379 54.5604128
54.6387155 54.7443018 54.8279021 54.9840850 55.3521586
55.6224959 55.7244474 56.1034012 56.2672863 56.4692275
56.5004387 56.9178201 57.0132320 57.0539475 57.3648158
57.4405516 57.7537665 58.0466601 58.1398378 58.2952579
58.4105360 58.7743565 58.8687452 58.9668639 59.2681495
59.6541766 59.8946103 59.9872055 60.1105086 60.2686671
60.3315786 60.5590842 60.7814874 60.9697659 61.1178827
61.1635392 61.7648761 61.8970408 61.9130720 62.1851419
62.4763081 62.6146406 62.8875953 63.0934831 63.3185972
63.3697419 63.5343959 63.7587761 63.9321735 64.2091100
64.3287288 64.5850391 64.8405512 64.9512783 65.1148551
65.3086311 65.4858500 65.8621426 65.9656754 66.1198964
66.4516028 66.9804533 67.2197359 67.4948959 67.6333780
67.8381418 67.8696560 68.2440260 68.4163793 68.5403096
68.7895083 68.9227027 69.0217862 69.3351407 69.5491634
69.7188202 69.8236936 70.1815762 70.2817267 70.7225011
70.8630913 71.2472934 71.3348311 71.6564761 71.8398825
71.9914492 72.0910135 72.4239605 72.8300452 72.9893710
73.0278103 73.4775840 73.5972105 73.6132738 73.8165884
74.1714335 74.2618755 74.5437917 74.8752902 75.0258582
75.1026169 75.1525696 75.2778712 75.6145634 76.1212615
76.2189296 76.5592219 76.7215815 76.8791174 77.0136183
77.2688016 77.5944630 77.9589594 78.0435704 78.5041185
78.8791006 79.0343769 79.5174935 79.5780449 79.6766316
80.0024458 80.1803518 80.3315115 80.5420636 81.0133780
81.4417487 81.7529981 81.9251407 82.1463266 82.5546311
83.0043028 83.3668626 83.4727376 83.8672707 84.2382546
84.5574891 84.6623312 84.9097152 85.3875952 85.5020239
85.6995529 86.0491480 86.1238575 86.3248483 86.4642729
86.5981086 87.0416401 87.0503002 87.3236526 87.4425576
87.5760861 87.7949443 88.2641643 88.4224438 89.0507267
89.2483309 89.3637022 89.4671334 89.7193226 89.7678848
90.1464752 90.5142102 90.7931079 91.1502611 91.2208847
91.9305153 92.3900370 92.4789854 92.6905342 93.0548167
93.3398469 93.7210341 93.8333452 93.9818283 94.2062582
94.3974416 94.8339169 95.1968739 95.3674970 95.6718389
96.0184250 96.1638941 96.3052915 96.7931783 97.0495340
97.3021472 97.7101713 98.1180291 98.1966467 98.3528547
98.6145062 99.0295504 99.3289632 99.8141028 100.2360424
100.8155506 100.8787167 101.2130817 101.5724312 102.3757884
102.5476909 102.9066466 102.9888795 103.0552341 103.9062143
104.3523556 104.7527442 105.0312641 105.3662221 105.5226194
105.5770940 105.8258022 105.9646602 106.1289945 106.3333690
106.9784112 107.1934033 107.7999221 107.9233222 108.4890129
109.0760060 109.4866237 109.5745558 110.5594345 110.6265009
110.8658189 111.3664790 112.0463236 112.1830929 112.4277039
112.6815377 112.9869958 113.2698692 113.9478742 114.0768249
114.5079424 114.8824969 115.6649400 116.0379841 116.1957696
117.2538014 117.3950756 117.8374321 118.1795327 118.7725776
118.8163165 119.2682155 120.1112420 120.7978747 120.9523411
121.5984325 122.2130739 122.2671248 122.9595304 123.8862687
124.3348170 124.9875103 126.2454239 126.4616033 127.7125937
127.8158785 128.0627222 128.6252224 128.8677136 129.8210672
130.1187729 130.8908650 131.8313903 133.4083243 133.5371357
133.8136105 134.7899313 135.8009571 135.9299836 136.5234448
136.8964813 138.2525564 139.5478807 140.5746667 141.0707467
141.3444022 141.5447459 141.8987100 143.1055421 143.8168892
143.9871711 144.2334641 144.3579666 145.1825196 146.9277690
147.1049478 147.6914102 149.6690095 150.0024675 151.9803697
153.2281267 154.6530772 155.5282523 157.5746994 158.6694997
160.8008375 162.8071581 163.9676785 166.4930599 168.9081036
172.4173621 175.8541694 179.9416730 183.7145902 189.2064154
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034135 0.0034213 0.0034266 0.0034312 0.0034373
0.0034459 76.4319166 93.6112505 100.1989356 103.0767634
106.1195736 116.9999440 125.1437480 132.6856319 138.3318254
150.7281059 157.6467377 164.8783581 174.5725099 196.1956265
199.5551378 202.5745273 206.2102676 214.9283016 220.2705768
225.8725897 228.1884454 231.4673517 233.0940130 241.9646824
251.3786222 255.6772144 258.8066126 262.5642914 264.7749649
275.6481637 281.4199167 287.0209497 291.3252584 295.5294577
298.5534347 300.9343812 305.4486935 311.1158265 313.1471167
318.0962079 321.8699918 329.3934615 334.5405121 337.4839916
342.1921541 344.0451096 349.2475760 351.8463911 353.0870820
361.9455646 365.9633888 366.8128164 369.3378769 375.7617038
377.6001568 380.8736840 386.0097276 388.6557665 398.7305140
404.4431709 405.1184119 406.7672946 411.3644739 415.3087342
417.4736569 418.9269019 421.4214195 424.1871590 427.7642247
432.0176534 434.0893688 441.8536209 445.9931515 446.8074441
447.7450874 450.0670246 453.0864855 455.2079963 459.4646630
461.6902422 463.4063420 468.5348865 472.6348161 477.6444465
478.4493117 480.1833673 486.7764172 491.0249529 493.2300624
495.7709048 498.3022701 499.2616798 499.8698405 502.9420045
505.6115797 509.2264155 511.5667287 515.4332862 516.3326943
517.8174577 519.0572724 519.7544940 520.5179380 522.0227769
524.9866615 527.8065697 531.5016461 533.9628141 535.9531254
537.2483798 539.2590353 542.5605720 543.7253230 544.7748655
545.1859215 547.0754943 549.0923145 551.1594637 554.2684218
556.7274037 559.6489919 560.7402419 561.6054421 567.3908649
568.2134452 569.6827879 573.2577396 574.4538400 575.6936476
578.6286921 580.8717983 582.6409481 584.6033129 587.0041253
588.5214240 590.9102570 592.2152558 593.2909918 593.6960742
596.2924820 596.7192180 599.5749583 601.2530005 603.7223884
604.4064817 606.6995871 608.7132439 610.0652793 611.8138323
613.5182109 614.3919915 617.4214041 619.7623269 621.0288041
622.7042929 624.1138038 626.0560515 629.1427433 630.8321545
632.1588464 634.1312176 634.1625068 635.6492207 637.4472941
641.5028807 642.4076240 644.8185726 646.5970596 648.8600922
650.2377019 650.5594957 652.0308861 654.7351970 656.6840183
657.8271170 659.9172162 660.7250517 662.6854877 664.8676706
666.3409800 667.5126521 669.7959112 671.5575144 673.0104468
674.9384425 675.4644762 678.6629984 679.4080753 681.4256394
682.7490677 684.0578050 686.0301086 687.4101717 688.7834355
691.1902259 692.5748361 693.3354457 694.7599416 695.8859499
698.1567642 699.0643236 700.2976136 703.2482755 704.4067869
705.3158200 707.9288527 708.3098499 710.6519766 711.4167684
712.4134620 715.2459463 717.4743162 717.9213665 718.5618381
719.9199036 721.9400649 722.4774874 722.5227853 724.0743851
725.3636103 726.1209544 726.8732156 728.7214085 730.2903584
731.3309315 732.5735983 735.8582522 736.2173533 736.8510718
737.0160178 738.7891761 739.7524520 739.9343167 741.7331637
743.1350190 744.6329766 745.5360013 747.1789151 747.4955523
748.1434276 749.8902745 751.4947697 752.5966429 753.6629580
754.4497834 755.7591184 757.2168345 758.8255347 760.7325629
761.5951924 763.6034119 764.5027789 765.5136416 766.5834873
767.6641091 768.4574586 770.2046954 771.0377537 773.0153753
773.9025091 774.0611348 774.6078910 777.4436951 777.7417105
778.1241615 778.4658023 779.0624098 780.3279675 783.3131507
784.3307046 785.7891263 786.7452780 787.4217300 790.1817588
790.6016148 794.1287654 794.1983777 795.8016006 796.2765096
797.8040033 798.9253645 799.8291661 801.1035669 802.1103201
802.6856906 803.4608886 804.0741393 805.2185689 807.9092143
809.8797061 810.6215879 813.3732318 814.5603484 816.0207525
816.2462338 819.2555829 819.9419583 820.2346837 822.4662433
823.0089937 825.2498169 827.3397649 828.0035300 829.1095056
829.9288771 832.5095454 833.1777614 833.8718168 835.9993970
838.7175067 840.4060152 841.0553848 841.9193315 843.0262031
843.4660850 845.0549105 846.6052202 847.9154411 848.9447569
849.2617887 853.4263885 854.3389835 854.4496119 856.3249446
858.3273660 859.2770774 861.1479548 862.5564595 864.0938668
864.4427759 865.5650911 867.0921733 868.2704383 870.1489601
870.9591076 872.6925004 874.4170747 875.1633693 876.2647057
877.5675803 878.7574392 881.2785663 881.9709626 883.0013396
885.2134629 888.7289377 890.3149808 892.1353459 893.0500924
894.4009502 894.6086733 897.0726172 898.2047009 899.0178426
900.6506835 901.5222087 902.1699915 904.2155695 905.6100543
906.7139449 907.3956435 909.7181076 910.3669688 913.2172065
914.1244542 916.5991827 917.1620977 919.2274896 920.4031303
921.3735450 922.0104555 924.1371210 926.7243409 927.7374554
927.9817167 930.8350207 931.5924436 931.6941029 932.9798516
935.2196356 935.7896488 937.5642088 939.6465846 940.5908862
941.0719204 941.3848340 942.1692909 944.2739411 947.4324789
948.0400901 950.1540757 951.1610409 952.1370712 952.9695949
954.5471132 956.5565417 958.8006000 959.3207651 962.1471573
964.4423118 965.3911141 968.3372112 968.7058285 969.3056923
971.2855155 972.3648678 973.2810098 974.5556792 977.4029623
979.9836395 981.8544761 982.8876504 984.2135824 986.6565445
989.3400340 991.4983804 992.1277767 994.4696538 996.6667279
998.5534567 999.1723138 1000.6310436 1003.4429165 1004.1150532
1005.2742500 1007.3225761 1007.7597698 1008.9350099 1009.7494543
1010.5306338 1013.1151581 1013.1655559 1014.7550628 1015.4457028
1016.2207216 1017.4897291 1020.2050926 1021.1194232 1024.7407677
1025.8770909 1026.5399523 1027.1338486 1028.5804685 1028.8587994
1031.0260903 1033.1268853 1034.7173268 1036.7504647 1037.1520263
1041.1783467 1043.7773074 1044.2796345 1045.4733648 1047.5257546
1049.1288319 1051.2688987 1051.8986068 1052.7305471 1053.9867649
1055.0557099 1057.4920825 1059.5138149 1060.4628831 1062.1536381
1064.0758074 1064.8815463 1065.6641483 1068.3600890 1069.7739236
1071.1652923 1073.4088402 1075.6467970 1076.0776441 1076.9331985
1078.3647486 1080.6316520 1082.2640470 1084.9038089 1087.1944730
1090.3327160 1090.6742367 1092.4802751 1094.4179417 1098.7374053
1099.6594812 1101.5824121 1102.0224628 1102.3774161 1106.9195079
1109.2933483 1111.4194298 1112.8959875 1114.6691576 1115.4961145
1115.7840070 1117.0974613 1117.8301141 1118.6965662 1119.7731953
1123.1644583 1124.2924911 1127.4687251 1128.1138551 1131.0665508
1134.1223100 1136.2550120 1136.7112012 1141.8082710 1142.1545343
1143.3892766 1145.9680904 1149.4605903 1150.1619205 1151.4151803
1152.7142521 1154.2755885 1155.7196029 1159.1733661 1159.8290783
1162.0186162 1163.9175409 1167.8744270 1169.7562330 1170.5512651
1175.8684721 1176.5766363 1178.7912820 1180.5011500 1183.4594207
1183.6773094 1185.9261375 1190.1100128 1193.5068804 1194.2697159
1197.4551842 1200.4777472 1200.7431841 1204.1383220 1208.6675618
1210.8536634 1214.0276803 1220.1215638 1221.1657694 1227.1909468
1227.6870785 1228.8719887 1231.5678683 1232.7282307 1237.2796435
1238.6974962 1242.3671202 1246.8226879 1254.2576103 1254.8629836
1256.1613438 1260.7355704 1265.4549693 1266.0559907 1268.8167382
1270.5490125 1276.8264349 1282.7939496 1287.5046658 1289.7744303
1291.0248061 1291.9394411 1293.5538232 1299.0429397 1302.2675701
1303.0382968 1304.1522570 1304.7150089 1308.4358798 1316.2767867
1317.0701904 1319.6929569 1328.4989717 1329.9780758 1338.7177712
1344.2019662 1350.4377297 1354.2533735 1363.1339173 1367.8611235
1377.0174174 1385.5813465 1390.5109210 1401.1781227 1411.3038403
1425.8891960 1440.0302498 1456.6699369 1471.8620388 1493.6994090
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402180110433256074.eigenfacs
Openam> file on opening on unit 10:
2402180110433256074.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402180110433256074.atom
Openam> file on opening on unit 11:
2402180110433256074.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 182
First residue number = 97
Last residue number = 287
Number of atoms found = 200
Mean number per residue = 1.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8810E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9266E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9569E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9837E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0020E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0070E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8514
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9550
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.161
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.328
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.493
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.927
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.108
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.584
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.264
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.377
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.480
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.606
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.115
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.326
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.416
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.543
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.965
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.359
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.544
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.680
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.846
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.945
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.443
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.716
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.986
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.197
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.406
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.559
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.680
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.912
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.208
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.316
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.581
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.786
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.201
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.491
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.930
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 11.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 14.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 17.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 17.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 18.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 18.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 19.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 19.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 20.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 20.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 20.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 20.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 21.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 21.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 21.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 21.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 22.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 22.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 22.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 22.74
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 600 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.495400
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.572 for 200 C-alpha atoms.
Bfactors> = 1.597 +/- 3.27
Bfactors> = 16.911 +/- 6.51
Bfactors> Shiftng-fct= 15.314
Bfactors> Scaling-fct= 1.991
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402180110433256074 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=0
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=100
2402180110433256074.eigenfacs
2402180110433256074.atom
making animated gifs
11 models are in 2402180110433256074.7.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 2402180110433256074.7.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 2402180110433256074.7.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 2402180110433256074 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=0
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=100
2402180110433256074.eigenfacs
2402180110433256074.atom
making animated gifs
11 models are in 2402180110433256074.8.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 2402180110433256074.8.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 2402180110433256074.8.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 2402180110433256074 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=0
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=100
2402180110433256074.eigenfacs
2402180110433256074.atom
making animated gifs
11 models are in 2402180110433256074.9.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 2402180110433256074.9.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 2402180110433256074.9.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 2402180110433256074 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=0
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=100
2402180110433256074.eigenfacs
2402180110433256074.atom
making animated gifs
11 models are in 2402180110433256074.10.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 2402180110433256074.10.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 2402180110433256074.10.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 2402180110433256074 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=0
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=100
2402180110433256074.eigenfacs
2402180110433256074.atom
making animated gifs
11 models are in 2402180110433256074.11.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 2402180110433256074.11.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 2402180110433256074.11.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 2402180110433256074 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=0
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=100
2402180110433256074.eigenfacs
2402180110433256074.atom
making animated gifs
11 models are in 2402180110433256074.12.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 2402180110433256074.12.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 2402180110433256074.12.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 2402180110433256074 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=0
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=100
2402180110433256074.eigenfacs
2402180110433256074.atom
making animated gifs
11 models are in 2402180110433256074.13.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 2402180110433256074.13.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 2402180110433256074.13.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 2402180110433256074 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=0
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=100
2402180110433256074.eigenfacs
2402180110433256074.atom
making animated gifs
11 models are in 2402180110433256074.14.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 2402180110433256074.14.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 2402180110433256074.14.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 2402180110433256074 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=0
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=100
2402180110433256074.eigenfacs
2402180110433256074.atom
making animated gifs
11 models are in 2402180110433256074.15.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 2402180110433256074.15.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 2402180110433256074.15.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 2402180110433256074 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=-20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=0
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=20
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=40
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=60
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=80
2402180110433256074.eigenfacs
2402180110433256074.atom
calculating perturbed structure for DQ=100
2402180110433256074.eigenfacs
2402180110433256074.atom
making animated gifs
11 models are in 2402180110433256074.16.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 2402180110433256074.16.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 2402180110433256074.16.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
2402180110433256074.10.pdb
2402180110433256074.11.pdb
2402180110433256074.12.pdb
2402180110433256074.13.pdb
2402180110433256074.14.pdb
2402180110433256074.15.pdb
2402180110433256074.16.pdb
2402180110433256074.7.pdb
2402180110433256074.8.pdb
2402180110433256074.9.pdb
STDERR:
real 0m3.088s
user 0m3.084s
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: 2402180110433256074.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
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
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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
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
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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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
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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