*** ***
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 = 2402172336193230849.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 2402172336193230849.atom to be opened.
Openam> File opened: 2402172336193230849.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 194
First residue number = 94
Last residue number = 288
Number of atoms found = 197
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.454858 +/- 10.400078 From: -21.607000 To: 20.709000
= 0.126360 +/- 9.168698 From: -20.850000 To: 18.951000
= 3.082792 +/- 8.136596 From: -13.571000 To: 18.687000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.5246 % Filled.
Pdbmat> 16662 non-zero elements.
Pdbmat> 1720 atom-atom interactions.
Pdbmat> Number per atom= 17.46 +/- 5.33
Maximum number = 30
Minimum number = 6
Pdbmat> Matrix trace = 34400.0
Pdbmat> Larger element = 120.246
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 197 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 591
Diagstd> Number of non-zero elements 16662
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 34400.0000006
%Diagstd-Wn: Nb on non-zero elements there: 591
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 591 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 34400.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5114101 0.8288619 0.8544863 0.9340281
1.1859965 1.4339638 1.5283654 1.7372585 1.9004170
2.0459596 2.1788986 2.4708043 2.9419933 3.0840305
3.2250984 3.3410038 3.5011519 3.8595249 3.8771217
4.0691081 4.1260974 4.3259341 4.4016713 4.6551590
4.8068367 4.9822056 5.0480953 5.7853190 5.8077325
6.0020181 6.2970677 6.3770086 6.5646157 6.9371861
7.3691890 7.6230414 7.7745766 8.0696675 8.4297994
8.5236780 8.5364307 8.8564556 9.0704888 9.4188287
9.5793684 9.8627339 9.9945776 10.2401849 10.2742915
10.5292271 10.9846460 11.1655489 11.2495527 11.3090590
11.8065241 11.8542266 12.3396673 12.6192211 12.8488172
13.2273856 13.5871848 13.7714373 14.0072500 14.3600760
14.5071511 14.8278616 15.0268234 15.3408656 15.4090711
15.5567133 15.6371864 16.3729528 16.5620118 16.7690352
16.8819138 16.9875979 17.3405064 17.4841902 17.7443525
17.8292585 17.8917035 18.2561944 18.5968769 18.6640966
18.9574584 19.2396603 19.3128843 19.6428354 19.7753053
19.9357771 20.0607935 20.4632095 20.6067067 20.9541769
21.1253690 21.3729689 21.5983217 21.7453705 21.8584314
21.9818479 22.3661946 22.6933226 22.7712071 23.0111743
23.1375374 23.3879455 23.5234525 23.7821809 24.0574909
24.0912164 24.2890767 24.5515076 24.7751978 24.9547388
25.1694238 25.4986145 25.5420338 25.7083537 25.8123791
26.1890435 26.2880892 26.5506556 26.7494540 26.8284634
26.9170688 26.9918502 27.2639296 27.3952274 27.6483138
27.7995101 28.0002072 28.1076645 28.3182524 28.6045230
28.6800274 28.7960553 29.1262189 29.1840473 29.3924943
29.4592048 29.6410640 29.9459668 30.0648160 30.2467692
30.4352373 30.6333559 30.6968170 30.8077867 30.9211164
31.1205461 31.3646980 31.7096497 31.9439071 32.0524575
32.2113921 32.4830784 32.5631764 32.8044911 33.1006050
33.2505899 33.4044515 33.5141102 33.6280025 33.9174955
34.0764889 34.1377727 34.4084532 34.5710360 34.8278841
35.0314512 35.0625986 35.2459092 35.5335268 35.5745003
35.8501155 36.0806533 36.2933447 36.3899917 36.5175802
36.6141009 36.9025287 37.0163776 37.1173358 37.2983476
37.4578954 37.5427686 37.7075004 37.8365510 38.1004862
38.1855104 38.2628601 38.4331380 38.5657716 38.6386120
38.7222411 38.9908247 39.3050215 39.5212924 39.6215510
39.7623205 39.9173970 40.0974616 40.3767151 40.4317192
40.6174986 40.7041751 40.7500729 40.7888053 40.9729261
41.1713156 41.3602324 41.5134648 41.5763447 41.6601744
41.8740142 41.9694737 42.1304112 42.2684744 42.4097057
42.4736381 42.5754917 42.7530255 43.0018039 43.2505158
43.3077609 43.4488287 43.6153457 43.7670960 43.7790991
43.9417962 44.0414490 44.2239622 44.2905525 44.4509419
44.5892176 44.7106766 44.8069477 45.0738851 45.2134626
45.2491377 45.3998420 45.6174956 45.7296867 45.8998210
46.0614662 46.2637803 46.2742625 46.4463073 46.5255874
46.7950458 46.9034537 47.0451719 47.2167221 47.3631053
47.4931765 47.6614172 47.8177682 48.0404615 48.0516548
48.2487057 48.4082032 48.6409804 48.6627745 48.7421976
48.9432155 49.0400992 49.2860082 49.4063324 49.5728572
49.6680560 49.8342835 49.9050164 50.1755019 50.2431609
50.5208606 50.5497585 50.8657536 50.9905508 51.1546389
51.2734468 51.5472964 51.7566972 51.8057455 52.0811526
52.4430457 52.6217137 52.7119498 52.9372809 52.9728102
53.3220999 53.4117962 53.5157156 53.6054201 53.7587366
53.9911670 54.3136014 54.7628194 55.0144818 55.1477941
55.2756579 55.4987928 55.6924327 55.7417418 55.8770036
55.9496175 56.1242139 56.4364115 56.5289189 56.6313326
56.8113535 57.2350111 57.2776492 57.4108203 57.6892753
57.7753339 57.8851240 58.1992733 58.2773126 58.3507685
58.6362280 58.8011756 59.0919708 59.1931269 59.2330401
59.4172003 59.4920545 59.6884790 60.0043415 60.2114121
60.2997153 60.5148379 60.5491653 60.8621840 60.9928034
61.1717254 61.4436602 61.5383442 61.7294908 61.7744102
62.2006892 62.5227410 62.5401945 62.7084471 62.9916846
63.0749230 63.3000991 63.5163059 63.5320981 63.7323051
63.9310139 64.1286470 64.3355784 64.5736393 64.8520050
64.9446037 65.4789866 65.7337552 65.8514140 66.1958581
66.3241951 66.3740545 66.6848738 66.9542583 67.2517691
67.3052161 67.4153717 67.7905068 67.9301259 67.9420051
68.3700209 68.5223302 68.7526888 68.9353467 69.2263298
69.3676538 69.6225726 69.7129554 70.1295147 70.2510365
70.4666530 70.5638236 70.8059473 71.0459255 71.4461781
71.5329627 71.9053669 72.0892357 72.2902398 72.4649217
72.6845644 72.8495341 73.3664357 73.5630044 73.8511527
74.0853683 74.2825433 74.4489064 74.9214266 75.0096699
75.1211779 75.3903638 75.5189117 75.6537807 75.8287207
76.0006902 76.4649214 76.6676652 77.2011768 77.3825972
77.7127889 77.8880673 78.1901442 78.2613841 78.3515447
78.5340437 78.5879905 78.9217862 79.0000833 79.5766222
79.7375830 80.0154334 80.0428290 80.2201869 80.6684316
80.9393757 81.1367251 81.1774945 81.3675048 81.4433951
81.7689346 81.9651628 82.3417659 82.3929226 82.5547479
82.9048157 83.0509833 83.2826473 83.4324411 84.0529878
84.3094196 84.4839918 84.5727627 84.6298913 84.8661205
85.0616629 85.3345273 85.4026354 85.4842007 85.7963897
86.2004729 86.4928784 86.6039466 86.7917717 87.0909725
87.3560379 87.5833136 87.9159086 87.9890691 88.2482687
88.6063263 88.8638653 89.1810536 89.8133896 90.1054178
90.1779031 90.5722466 90.6713575 91.0661200 91.3099919
91.6215719 91.9453138 92.2126055 92.3938690 92.6082324
92.8304766 92.9217772 93.5363057 93.6487980 93.7980467
93.9843647 94.0701016 94.2734091 94.4357037 94.8390601
95.3332525 95.4713302 95.9331568 96.7139512 96.8797488
97.2337331 97.4496126 97.9615110 98.2501949 98.5666875
98.6747984 98.9798134 99.0924838 99.3188601 99.8377974
100.1172349 100.4975434 100.7271168 101.2937399 101.5526147
101.7204426 102.1462202 102.2587697 103.0482409 103.4813787
103.7923645 104.0379958 104.6326408 104.9775294 105.0327504
105.1817762 105.6046687 106.1880560 106.4676069 106.9018382
107.1532074 107.6457258 107.7833893 108.2051182 108.4352911
109.0273822 109.2700169 109.6215184 110.1369134 110.5889704
111.3201216 111.7220003 112.0778172 112.4252258 113.0352842
113.8713460 114.0787814 114.5380020 114.9056688 115.3978775
116.1193301 116.5710941 117.4958303 117.8088105 118.3742920
119.1917629 119.3498998 119.9553964 120.4133098 121.3552917
122.0677581 122.2288130 122.4389475 122.9158448 123.5024191
123.9815250 124.8758186 125.5649838 127.1270235 127.9999478
128.4860472 129.2964901 129.7325678 130.7194236 131.7533422
132.5265925 134.0877035 134.4628886 135.2865209 135.4437507
136.2042266 138.0824617 139.1813037 139.7668273 140.4217965
141.4385813 143.0124173 144.7112663 146.3457777 147.1695921
151.9155203 154.8737166 155.3992753 156.6717440 158.5864152
166.1197865
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034265 0.0034344 0.0034415 0.0034427 0.0034511
0.0034586 77.6568824 98.8635872 100.3801491 104.9482595
118.2597558 130.0362303 134.2483251 143.1289576 149.6992863
155.3258759 160.2927163 170.6925067 186.2585082 190.7017224
195.0144368 198.4877747 203.1892644 213.3350439 213.8208227
219.0508255 220.5794334 225.8578698 227.8264185 234.2947405
238.0811230 242.3852031 243.9827114 261.1914366 261.6969019
266.0381567 272.4987170 274.2229386 278.2274235 286.0137774
294.7848286 299.8191848 302.7845103 308.4772215 315.2854284
317.0361599 317.2732365 323.1656972 327.0473444 333.2680880
336.0962897 341.0310629 343.3029242 347.4954963 348.0737100
352.3656195 359.9053590 362.8568441 364.2192592 365.1812869
373.1266845 373.8797061 381.4582440 385.7549925 389.2484169
394.9410604 400.2764333 402.9813202 406.4168635 411.5036102
413.6055403 418.1523509 420.9484086 425.3243168 426.2687641
428.3060449 429.4124059 439.3987171 441.9283120 444.6817633
446.1759112 447.5703076 452.1954298 454.0650147 457.4307527
458.5238402 459.3261025 463.9812235 468.2904361 469.1360072
472.8085656 476.3146943 477.2202339 481.2795059 482.8996364
484.8549848 486.3728608 491.2269162 492.9462588 497.0849138
499.1113343 502.0277306 504.6674362 506.3824976 507.6972099
509.1284662 513.5601656 517.3021979 518.1891403 520.9123704
522.3406767 525.1596093 526.6787691 529.5672500 532.6236490
532.9968528 535.1811192 538.0645289 540.5101395 542.4650896
544.7934993 548.3446012 548.8112661 550.5951905 551.7080204
555.7188126 556.7686716 559.5422760 561.6331595 562.4619913
563.3900366 564.1721035 567.0084176 568.3720791 570.9914500
572.5505707 574.6136030 575.7151538 577.8678122 580.7813143
581.5473234 582.7224895 586.0535958 586.6350948 588.7263869
589.3941085 591.2105489 594.2435134 595.4215587 597.2205958
599.0783524 601.0250432 601.6472730 602.7337771 603.8413694
605.7855153 608.1571761 611.4923138 613.7468803 614.7887998
616.3111538 618.9048276 619.6674175 621.9592524 624.7600429
626.1738939 627.6209799 628.6502999 629.7175771 632.4222900
633.9028442 634.4725997 636.9830193 638.4861444 640.8535958
642.7237447 643.0094125 644.6880782 647.3131615 647.6862611
650.1904109 652.2776180 654.1973443 655.0678099 656.2151852
657.0818441 659.6648504 660.6816410 661.5819962 663.1932178
664.6101450 665.3626656 666.8208222 667.9609149 670.2866025
671.0340842 671.7133740 673.2063490 674.3669731 675.0035217
675.7336129 678.0730612 680.7996117 682.6700494 683.5354077
684.7485814 686.0825715 687.6282656 690.0185589 690.4883959
692.0729382 692.8109755 693.2014703 693.5308318 695.0943696
696.7751487 698.3719140 699.6643905 700.1940767 700.8996158
702.6961567 703.4966634 704.8441980 705.9981561 707.1766452
707.7094774 708.5575275 710.0332834 712.0961165 714.1524426
714.6249020 715.7878414 717.1581523 718.4046690 718.5031727
719.8370285 720.6528023 722.1444958 722.6879762 723.9953288
725.1205386 726.1074640 726.8887720 729.0507763 730.1787074
730.4667191 731.6821346 733.4339337 734.3352788 735.7000342
736.9943514 738.6111148 738.6947853 740.0667218 740.6980696
742.8398931 743.6998466 744.8225388 746.1793004 747.3350730
748.3605561 749.6848876 750.9135332 752.6600511 752.7477299
754.2895900 755.5353025 757.3496694 757.5193199 758.1372462
759.6989555 760.4505007 762.3547366 763.2847545 764.5700042
765.3037848 766.5833629 767.1271996 769.2033078 769.7217476
771.8459865 772.0667029 774.4761033 775.4255950 776.6722563
777.5736537 779.6473847 781.2293616 781.5994481 783.6742444
786.3922650 787.7307048 788.4058184 790.0891455 790.3542386
792.9556582 793.6223171 794.3939881 795.0595015 796.1956618
797.9150150 800.2940364 803.5967653 805.4411121 806.4164027
807.3507266 808.9786282 810.3886966 810.7473691 811.7304449
812.2577077 813.5240863 815.7836104 816.4519301 817.1911801
818.4890024 821.5351807 821.8411311 822.7959708 824.7889276
825.4038921 826.1877747 828.4266496 828.9818817 829.5041642
831.5307089 832.6994634 834.7559392 835.4701182 835.7517448
837.0499454 837.5770398 838.9586118 841.1755045 842.6256721
843.2433232 844.7461430 844.9857025 847.1670323 848.0756188
849.3186200 851.2043210 851.8599166 853.1818886 853.4922543
856.4319856 858.6462648 858.7661038 859.9205021 861.8603307
862.4295823 863.9676381 865.4418570 865.5494386 866.9121577
868.2625636 869.6035795 871.0054752 872.6154777 874.4943018
875.1184011 878.7113885 880.4191935 881.2067855 883.5084114
884.3644459 884.6967952 886.7658238 888.5551372 890.5270934
890.8808869 891.6096225 894.0868769 895.0071198 895.0853728
897.9003410 898.8999202 900.4096148 901.6048982 903.5057770
904.4275500 906.0878639 906.6758072 909.3806252 910.1681804
911.5638673 912.1921550 913.7558051 915.3029634 917.8776205
918.4349173 920.8225231 921.9990866 923.2835824 924.3984188
925.7982944 926.8483251 930.1307249 931.3759285 933.1982579
934.6768849 935.9198593 936.9673157 939.9360340 940.4894052
941.1882023 942.8730004 943.6765033 944.5187819 945.6101928
946.6818451 949.5687280 950.8267671 954.1293170 955.2497468
957.2856037 958.3645574 960.2211938 960.6585283 961.2117294
962.3305214 962.6609877 964.7032312 965.1816466 968.6971694
969.6763733 971.3643519 971.5306249 972.6063819 975.3199032
976.9564518 978.1467530 978.3924704 979.5368516 979.9935449
981.9501703 983.1277010 985.3836879 985.6897361 986.6572423
988.7469558 989.6181903 990.9974591 991.8882726 995.5701304
997.0876336 998.1193913 998.6436371 998.9808698 1000.3741369
1001.5259685 1003.1310511 1003.5312862 1004.0103918 1005.8420481
1008.2079193 1009.9164715 1010.5646960 1011.6599495 1013.4022179
1014.9432144 1016.2626539 1018.1904394 1018.6140020 1020.1132237
1022.1806270 1023.6650601 1025.4903543 1029.1195387 1030.7912719
1031.2057989 1033.4580452 1034.0233339 1036.2718405 1037.6584626
1039.4273726 1041.2621452 1042.7745588 1043.7989535 1045.0091129
1046.2622848 1046.7766679 1050.2323385 1050.8636845 1051.7007350
1052.7447524 1053.2248245 1054.3623426 1055.2695111 1057.5207584
1060.2724709 1061.0400253 1063.6032316 1067.9227626 1068.8377455
1070.7886527 1071.9766823 1074.7885175 1076.3710055 1078.1032644
1078.6943504 1080.3602474 1080.9749687 1082.2090053 1085.0325727
1086.5499686 1088.6117141 1089.8543996 1092.9154950 1094.3111774
1095.2150444 1097.5048058 1098.1092803 1102.3400121 1104.6542897
1106.3129169 1107.6212238 1110.7821022 1112.6112685 1112.9038615
1113.6931039 1115.9297083 1119.0078042 1120.4797873 1122.7624168
1124.0816751 1126.6620743 1127.3822643 1129.5856904 1130.7864742
1133.8694981 1135.1304801 1136.9547669 1139.6243784 1141.9607773
1145.7295554 1147.7958010 1149.6221220 1151.4024907 1154.5222192
1158.7840463 1159.8390242 1162.1711276 1164.0349165 1166.5253761
1170.1661775 1172.4402425 1177.0814284 1178.6481144 1181.4734795
1185.5459792 1186.3321759 1189.3376722 1191.6055775 1196.2574062
1199.7638290 1200.5550458 1201.5865933 1203.9243976 1206.7936395
1209.1321453 1213.4851175 1216.8290035 1224.3743411 1228.5707646
1230.9013968 1234.7773319 1236.8578430 1241.5532248 1246.4535554
1250.1058748 1257.4471955 1259.2051717 1263.0558202 1263.7895680
1267.3325008 1276.0407415 1281.1079621 1283.7998887 1286.8044162
1291.4548452 1298.6201998 1306.3106039 1313.6672675 1317.3595475
1338.4321278 1351.4007030 1353.6917275 1359.2227006 1367.5029482
1399.6065375
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402172336193230849.eigenfacs
Openam> file on opening on unit 10:
2402172336193230849.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402172336193230849.atom
Openam> file on opening on unit 11:
2402172336193230849.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 194
First residue number = 94
Last residue number = 288
Number of atoms found = 197
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9565E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0044E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0051E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0100E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0144E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5114
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8289
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8545
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9340
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.186
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.434
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.528
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.737
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.900
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.046
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.179
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.942
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.084
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.225
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.501
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.860
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.877
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.069
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.326
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.402
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.655
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.807
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.982
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.808
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.002
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.297
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.377
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.565
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.937
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.369
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.430
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.524
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.536
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.856
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.579
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.98
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 591 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.511400
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.266 for 197 C-alpha atoms.
Bfactors> = 1.571 +/- 2.48
Bfactors> = 12.786 +/- 8.34
Bfactors> Shiftng-fct= 11.215
Bfactors> Scaling-fct= 3.364
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402172336193230849 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=0
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=100
2402172336193230849.eigenfacs
2402172336193230849.atom
making animated gifs
11 models are in 2402172336193230849.7.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 2402172336193230849.7.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 2402172336193230849.7.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 2402172336193230849 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=0
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=100
2402172336193230849.eigenfacs
2402172336193230849.atom
making animated gifs
11 models are in 2402172336193230849.8.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 2402172336193230849.8.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 2402172336193230849.8.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 2402172336193230849 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=0
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=100
2402172336193230849.eigenfacs
2402172336193230849.atom
making animated gifs
11 models are in 2402172336193230849.9.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 2402172336193230849.9.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 2402172336193230849.9.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 2402172336193230849 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=0
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=100
2402172336193230849.eigenfacs
2402172336193230849.atom
making animated gifs
11 models are in 2402172336193230849.10.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 2402172336193230849.10.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 2402172336193230849.10.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 2402172336193230849 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=0
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=100
2402172336193230849.eigenfacs
2402172336193230849.atom
making animated gifs
11 models are in 2402172336193230849.11.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 2402172336193230849.11.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 2402172336193230849.11.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 2402172336193230849 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=0
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=100
2402172336193230849.eigenfacs
2402172336193230849.atom
making animated gifs
11 models are in 2402172336193230849.12.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 2402172336193230849.12.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 2402172336193230849.12.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 2402172336193230849 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=0
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=100
2402172336193230849.eigenfacs
2402172336193230849.atom
making animated gifs
11 models are in 2402172336193230849.13.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 2402172336193230849.13.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 2402172336193230849.13.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 2402172336193230849 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=0
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=100
2402172336193230849.eigenfacs
2402172336193230849.atom
making animated gifs
11 models are in 2402172336193230849.14.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 2402172336193230849.14.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 2402172336193230849.14.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 2402172336193230849 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=0
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=100
2402172336193230849.eigenfacs
2402172336193230849.atom
making animated gifs
11 models are in 2402172336193230849.15.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 2402172336193230849.15.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 2402172336193230849.15.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 2402172336193230849 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=-20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=0
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=20
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=40
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=60
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=80
2402172336193230849.eigenfacs
2402172336193230849.atom
calculating perturbed structure for DQ=100
2402172336193230849.eigenfacs
2402172336193230849.atom
making animated gifs
11 models are in 2402172336193230849.16.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 2402172336193230849.16.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 2402172336193230849.16.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
2402172336193230849.10.pdb
2402172336193230849.11.pdb
2402172336193230849.12.pdb
2402172336193230849.13.pdb
2402172336193230849.14.pdb
2402172336193230849.15.pdb
2402172336193230849.16.pdb
2402172336193230849.7.pdb
2402172336193230849.8.pdb
2402172336193230849.9.pdb
STDERR:
real 0m2.945s
user 0m2.941s
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: 2402172336193230849.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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