*** ***
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 = 240414141807118960.atom
Pdbmat> Distance cutoff = 8.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 240414141807118960.atom to be opened.
Openam> File opened: 240414141807118960.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 = 195
First residue number = 96
Last residue number = 401
Number of atoms found = 198
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.451227 +/- 9.187021 From: -18.707000 To: 21.574000
= -0.305838 +/- 7.563530 From: -19.718000 To: 15.803000
= 31.946283 +/- 10.765589 From: 12.786000 To: 54.094000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> 1 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 5.7092 % Filled.
Pdbmat> 10089 non-zero elements.
Pdbmat> 989 atom-atom interactions.
Pdbmat> Number per atom= 9.99 +/- 3.30
Maximum number = 19
Minimum number = 4
Pdbmat> Matrix trace = 19780.0
Pdbmat> Larger element = 77.6609
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 198 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) = 594
Diagstd> Number of non-zero elements 10089
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 19780.0000006
%Diagstd-Wn: Nb on non-zero elements there: 594
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 594 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 19780.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0022106 0.0453253 0.0650263 0.0725123
0.0884325 0.1082072 0.1663007 0.1971853 0.2360188
0.2495947 0.2821856 0.3058633 0.3344887 0.3608395
0.4106966 0.4568885 0.5491715 0.6238376 0.6579357
0.6726508 0.7501885 0.7979341 0.8322785 0.8559861
0.9003212 0.9914800 1.0068226 1.0419486 1.0821964
1.1087473 1.2563626 1.3349619 1.3651760 1.4783158
1.5225629 1.6277541 1.6440012 1.7168040 1.7573623
1.7811976 1.8805579 1.9706993 2.0360339 2.0757791
2.1025687 2.2643028 2.3295335 2.4764971 2.5511487
2.6107125 2.6832348 2.7084615 2.8221106 2.9346906
2.9538549 2.9916449 3.0565764 3.1805995 3.2313812
3.2926268 3.3246181 3.5241450 3.5854781 3.6447176
3.7622322 3.7796359 3.8082487 3.9556161 4.0063509
4.0945790 4.1828914 4.2276608 4.3246110 4.4633191
4.5080676 4.5420031 4.6339745 4.6920640 4.8395067
4.9513093 5.0684739 5.1382642 5.2441911 5.2752274
5.3481764 5.3870912 5.4081671 5.4970021 5.6077659
5.7015438 5.8349632 5.9341587 5.9809433 6.0615245
6.1512863 6.2067975 6.3933271 6.4184691 6.5878631
6.6999176 6.8094854 6.9816433 7.0007010 7.1079967
7.1577140 7.2062742 7.2841351 7.4209529 7.5418742
7.6319071 7.7950181 7.9712725 8.0372472 8.1495310
8.1875969 8.3562105 8.5035743 8.6302335 8.7179340
8.7938776 8.8766257 9.0053607 9.0698387 9.2197630
9.3044866 9.3333926 9.3920034 9.5538306 9.5691139
9.6159300 9.8339760 9.8624186 9.9773920 10.0285870
10.1149802 10.2275127 10.2951720 10.3779084 10.6093177
10.7787082 10.9358505 11.0316933 11.0957200 11.1986358
11.3143303 11.5870460 11.6219027 11.7528021 11.9058659
11.9851707 12.0328339 12.1620330 12.3145028 12.4018654
12.4583299 12.6601743 12.8026490 12.8419423 12.8701150
13.0290578 13.1071491 13.2344859 13.3008763 13.4481281
13.5603381 13.6681332 13.8183587 13.9342556 14.1447428
14.2330356 14.4527933 14.4998309 14.5335960 14.6122880
14.7498687 14.9097149 15.0551013 15.1014638 15.2662244
15.3202109 15.4368530 15.5700907 15.6203577 15.6914164
15.7808386 15.9690641 16.1091002 16.2111566 16.3305248
16.3713296 16.5036440 16.6602446 16.8371086 16.9172961
17.0261361 17.1173106 17.2036348 17.3408822 17.4310185
17.5538756 17.5852796 17.6874854 17.7849467 17.8647491
17.9708801 18.0546073 18.1684667 18.2292187 18.4774748
18.5863667 18.7461463 18.8838621 19.0622751 19.1457950
19.3540997 19.4026090 19.5211283 19.5878749 19.7064347
19.9288772 20.0432181 20.1699183 20.3076255 20.4161051
20.6280991 20.8510535 20.9639439 21.0199701 21.1191853
21.2237130 21.3268569 21.4721590 21.5210825 21.7456968
21.7944922 21.9101035 21.9492020 22.1028409 22.3339443
22.5252205 22.6296945 22.7058707 22.8218048 22.9207621
22.9317237 23.0672082 23.1533757 23.3230806 23.4401191
23.5779373 23.6301546 23.7606699 23.8536015 23.9248146
24.0131329 24.1057623 24.1911093 24.2776533 24.4576603
24.5509524 24.7083521 24.8688644 25.0009872 25.0675158
25.0982318 25.2749450 25.2940102 25.4648698 25.5330037
25.5766978 25.7794100 25.9076053 26.0970018 26.1216381
26.2498503 26.3252436 26.3962230 26.6080291 26.7770807
26.9591851 27.0318789 27.2186106 27.3458743 27.4339669
27.4885381 27.5693711 27.7170526 27.8385863 27.9315558
28.0055388 28.0939573 28.2142844 28.3614952 28.4665367
28.5940992 28.6515200 28.7318099 28.7825344 28.8253602
29.0642579 29.2532826 29.3757280 29.4340658 29.6833694
29.9963945 30.0134658 30.2188665 30.3146311 30.4757669
30.5140369 30.6762490 30.7228020 30.7428064 30.8789961
31.0147674 31.2027002 31.4325413 31.6871591 31.8062022
31.9060164 32.0262394 32.0795920 32.1831489 32.4825039
32.6034162 32.6662429 32.7050090 32.9546751 33.1363022
33.2085064 33.2742452 33.4255783 33.5981211 33.8137625
34.0558528 34.1293530 34.2110399 34.3332811 34.4210349
34.4376444 34.7390402 34.8945681 35.2287735 35.2906166
35.4311259 35.6226527 35.6529834 35.8768400 36.0284752
36.2369040 36.4351790 36.5281442 36.5863076 36.9908831
37.1338248 37.1919442 37.2982557 37.3981873 37.6155488
37.8693872 37.9549173 38.1734585 38.2445714 38.5177938
38.6604936 38.7934567 39.0971286 39.1685365 39.3904959
39.5161923 39.7060393 39.7269028 39.8698810 39.9682938
40.0486556 40.1584596 40.2897111 40.4803600 40.5923383
40.8455916 40.9136113 41.1027415 41.2624741 41.4473359
41.6346075 41.6931259 41.9879187 42.0331029 42.1656239
42.2693135 42.4683175 42.6079028 42.9167775 43.0235682
43.1978427 43.3303739 43.4594946 43.7348159 43.9869692
44.1046585 44.3279878 44.5130368 44.5561714 44.8331814
44.8616989 45.0671701 45.1175803 45.5630523 45.8644990
45.9305437 46.1000993 46.2774709 46.5206447 46.5897321
46.9305146 46.9473470 47.0803022 47.1321101 47.4241292
47.6345544 47.7548690 48.1792937 48.2827244 48.4143352
48.5816364 48.6092134 48.8684436 49.0072739 49.2061551
49.3141735 49.5122840 49.6047848 49.7381257 50.0389100
50.2130509 50.3529297 50.6976336 50.7354596 50.9076206
51.1057535 51.1311033 51.4296518 51.5260836 51.6357391
51.8884840 52.0559423 52.0852393 52.2165260 52.3878515
52.5565340 52.8526159 53.1250832 53.2474415 53.5599787
53.6147836 53.9590336 54.0133298 54.3083268 54.4628092
54.6315454 54.9908190 55.1575807 55.3385524 55.5638591
55.8152934 55.8741084 56.0503784 56.2162437 56.3877263
56.6410423 56.6814182 56.8667685 57.0877987 57.2415949
57.4555337 57.7908448 57.7946985 57.8777466 58.2381510
58.4962635 58.6435340 58.7608502 59.0641152 59.3179850
59.5261617 59.8291767 59.8724025 60.2304763 60.7236230
60.9258816 61.0277449 61.3354051 61.3450247 61.9108774
61.9864738 62.6350025 62.8246539 63.0108283 63.1088683
63.2656460 63.6041177 63.8738646 64.3487805 64.5324669
64.6524771 64.7986444 65.1282038 65.2229248 65.4804112
65.6194479 66.0283331 66.0537425 66.4774873 66.7798266
67.1394955 67.3887765 67.5048620 67.9555326 68.2908913
68.7701283 69.2257179 69.6571927 69.9497801 70.1935436
70.5494064 70.6822200 71.0771507 71.3270074 71.7546470
72.2458893 72.6455445 72.7841658 72.9019356 73.0570505
73.3164346 73.5203637 74.2346429 74.4110029 74.8383047
75.3123536 75.4996579 75.6563193 76.2177848 76.7011700
77.1518852 77.6510293 78.0344848 78.5318565 78.6315737
79.0207023 79.8285465 80.2543702 80.6907713 81.2180504
81.6526321 82.1011974 82.2829019 83.3354079 84.2451184
84.6180787 84.7365942 85.5905831 86.0492485 86.1930117
86.7804242 87.9169126 87.9887942 88.3127631 89.0365106
89.3240554 90.1070456 91.0878175 91.3980261 92.3782695
92.9263470 93.5288828 94.3129422 94.8090868 96.0086265
96.4468127 98.3997697 100.7475577 100.9786496 102.1817770
102.9992663 103.3652814 105.3592320 111.0536253
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034285 0.0034294 0.0034308 0.0034334 0.0034415
0.0034459 5.1056352 23.1188083 27.6910635 29.2416032
32.2924612 35.7209730 44.2835401 48.2205933 52.7556033
54.2516471 57.6849746 60.0563573 62.8038158 65.2307438
69.5914433 73.4007318 80.4728320 85.7691394 88.0819657
89.0615197 94.0546980 97.0015746 99.0671371 100.4682061
103.0371949 108.1277742 108.9611687 110.8455933 112.9661494
114.3435218 121.7174337 125.4670604 126.8789587 132.0319031
133.9932454 138.5446246 139.2343360 142.2838609 143.9547292
144.9276786 148.9150632 152.4422907 154.9486433 156.4537045
157.4600460 163.4039429 165.7409240 170.8890323 173.4455536
175.4586601 177.8789739 178.7131930 182.4241341 186.0271978
186.6336097 187.8236608 189.8510080 193.6643894 195.2042986
197.0455047 198.0004446 203.8553746 205.6216404 207.3133287
210.6289577 211.1155682 211.9131609 215.9744359 217.3550698
219.7353391 222.0923379 223.2776980 225.8233287 229.4162880
230.5634652 231.4296468 233.7610227 235.2216241 238.8888213
241.6324777 244.4746801 246.1520724 248.6763793 249.4111545
251.1297375 252.0417258 252.5342747 254.5999006 257.1521834
259.2934305 262.3096942 264.5299550 265.5706775 267.3537079
269.3259801 270.5384933 274.5735777 275.1129341 278.7196351
281.0800427 283.3690587 286.9287771 287.3201243 289.5135454
290.5242908 291.5081294 293.0787128 295.8183545 298.2187344
299.9934805 303.1823001 306.5907930 307.8569367 309.9999239
310.7230761 313.9062524 316.6620623 319.0116581 320.6284590
322.0219600 323.5334843 325.8710931 327.0356241 329.7274924
331.2390179 331.7531447 332.7931673 335.6479889 335.9163490
336.7370681 340.5335079 341.0256113 343.0076442 343.8865202
345.3645835 347.2804169 348.4272260 349.8244804 353.7032150
356.5156821 359.1050911 360.6752733 361.7204181 363.3940745
365.2663857 369.6422848 370.1978549 372.2768167 374.6931676
375.9390089 376.6857926 378.7026717 381.0690887 382.4184056
383.2879739 386.3804308 388.5484662 389.1442669 389.5708865
391.9690585 393.1419610 395.0470461 396.0366760 398.2228708
399.8807886 401.4670265 403.6672454 405.3565239 408.4066529
409.6793261 412.8299297 413.5011756 413.9823469 415.1015845
417.0511825 419.3049112 421.3442983 421.9925694 424.2883447
425.0378952 426.6528628 428.4901581 429.1812775 430.1563656
431.3803116 433.9453240 435.8438498 437.2222758 438.8290314
439.3769364 441.1489033 443.2369592 445.5834349 446.6432305
448.0777001 449.2758200 450.4072651 452.2003290 453.3740541
454.9689813 455.3757712 456.6971774 457.9536914 458.9799778
460.3413152 461.4124448 462.8650812 463.6383039 466.7846755
468.1580877 470.1660663 471.8899090 474.1138553 475.1513670
477.7291776 478.3274952 479.7861842 480.6057267 482.0580160
484.7710718 486.1597568 487.6939291 489.3559273 490.6612113
493.2020635 495.8602343 497.2007490 497.8646919 499.0382797
500.2717302 501.4858776 503.1913165 503.7642413 506.3862964
506.9541202 508.2969401 508.7502640 510.5277216 513.1897752
515.3826639 516.5764762 517.4451978 518.7645297 519.8880168
520.0123172 521.5462156 522.5194241 524.4308562 525.7450443
527.2883599 527.8719214 529.3276989 530.3618291 531.1529167
532.1323877 533.1577361 534.1007306 535.0552535 537.0351779
538.0584452 539.7804747 541.5309182 542.9675298 543.6894787
544.0224765 545.9343111 546.1401742 547.9816435 548.7142442
549.1835449 551.3555706 552.7247559 554.7414121 555.0031966
556.3635834 557.1619885 557.9126059 560.1465089 561.9231103
563.8306242 564.5902796 566.5369712 567.8598803 568.7738036
569.3392205 570.1757075 571.7008039 572.9528296 573.9087470
574.6683070 575.5747579 576.8060407 578.3088538 579.3787954
580.6754834 581.2582277 582.0720855 582.5856677 583.0189240
585.4298997 587.3305396 588.5584501 589.1425745 591.6323032
594.7436431 594.9128562 596.9450635 597.8901846 599.4771055
599.8533848 601.4456771 601.9018683 602.0977930 603.4299565
604.7551067 606.5845850 608.8145562 611.2754194 612.4225703
613.3827697 614.5373077 615.0489737 616.0409017 618.8993548
620.0501750 620.6473052 621.0154673 623.3813393 625.0968371
625.7775112 626.3965921 627.8194194 629.4377352 631.4544516
633.7108752 634.3943519 635.1530939 636.2868311 637.0994670
637.2531621 640.0356837 641.4668154 644.5313440 645.0968235
646.3797714 648.1244555 648.4003176 650.4327074 651.8058007
653.6884669 655.4743989 656.3100954 656.8324059 660.4540843
661.7289308 662.2465752 663.1924006 664.0802382 666.0072878
668.2506947 669.0049095 670.9281823 671.5528237 673.9473692
675.1946271 676.3547114 678.9967750 679.6165599 681.5394581
682.6259996 684.2637990 684.4435481 685.6741075 686.5198281
687.2096530 688.1510913 689.2747301 690.9036120 691.8585541
694.0134318 694.5910575 696.1946400 697.5460961 699.1069033
700.6845118 701.1767528 703.6512345 704.0297413 705.1386921
706.0051636 707.6651494 708.8271757 711.3917636 712.2762986
713.7174411 714.8114472 715.8756919 718.1396927 720.2069368
721.1697678 722.9933272 724.5008384 724.8517858 727.1015310
727.3327416 728.9964685 729.4040663 732.9961361 735.4169026
735.9462103 737.3033561 738.7203937 740.6587240 741.2084927
743.9143536 744.0477504 745.1005795 745.5104272 747.8163612
749.4735900 750.4194974 753.7468231 754.5554567 755.5831540
756.8875297 757.1023195 759.1184275 760.1959522 761.7369029
762.5725350 764.1027464 764.8161767 765.8434245 768.1555994
769.4910714 770.5621143 773.1951558 773.4835466 774.7947689
776.3010580 776.4935670 778.7571952 779.4869469 780.3159407
782.2233422 783.4845496 783.7049902 784.6920766 785.9783331
787.2426937 789.4570799 791.4893797 792.4003396 794.7224438
795.1289374 797.6775359 798.0787661 800.2551754 801.3925481
802.6330213 805.2678752 806.4879536 807.8099114 809.4527094
811.2820856 811.7094146 812.9887851 814.1908019 815.4316643
817.2612331 817.5524687 818.8880907 820.4779781 821.5824303
823.1163186 825.5146822 825.5422063 826.1351243 828.7033022
830.5376852 831.5825114 832.4138847 834.5591664 836.3507971
837.8171003 839.9468267 840.2501972 842.7590580 846.2021373
847.6102336 848.3185064 850.4541394 850.5208279 854.4344682
854.9559634 859.4167819 860.7169048 861.9912842 862.6616197
863.7324851 866.0398906 867.8743980 871.0948392 872.3372421
873.1480026 874.1344582 876.3545196 876.9915632 878.7209467
879.6533606 882.3897346 882.5595016 885.3858525 887.3969340
889.7834366 891.4337365 892.2012082 895.1744758 897.3805881
900.5238048 903.5017839 906.3131137 908.2145539 909.7956671
912.0989638 912.9571013 915.5040822 917.1118013 919.8569552
923.0003188 925.5497584 926.4323990 927.1816119 928.1674790
929.8137172 931.1059535 935.6180509 936.7287707 939.4144817
942.3850555 943.5561989 944.5346288 948.0329704 951.0345059
953.8246714 956.9051428 959.2649229 962.3171210 962.9278862
965.3075941 970.2293118 972.8135827 975.4549425 978.6368400
981.2515927 983.9431937 985.0314122 991.3113145 996.7073313
998.9111492 999.6104382 1004.6349270 1007.3231645 1008.1642850
1011.5938131 1018.1962528 1018.6124110 1020.4859195 1024.6589692
1026.3122115 1030.8005829 1036.3952847 1038.1585581 1043.7108338
1046.8024078 1050.1906653 1054.5833904 1057.3536337 1064.0215126
1066.4468610 1077.1900203 1089.9649780 1091.2143272 1097.6958084
1102.0780324 1104.0344517 1114.6321828 1144.3573163
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240414141807118960.eigenfacs
Openam> file on opening on unit 10:
240414141807118960.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240414141807118960.atom
Openam> file on opening on unit 11:
240414141807118960.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 = 195
First residue number = 96
Last residue number = 401
Number of atoms found = 198
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: 9.9683E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9732E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9816E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9965E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0044E-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: 2.2106E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.5325E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.5026E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.2512E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 8.8432E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1663
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2360
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2496
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2822
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3345
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4107
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4569
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5492
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6238
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6579
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6727
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7979
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8323
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8560
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9003
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9915
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.109
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.256
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.335
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.365
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.478
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.523
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.628
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.644
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.717
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.757
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.781
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.881
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.971
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 2.036
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.076
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.264
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.330
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.476
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.551
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.611
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.683
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.708
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.822
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.935
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.992
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.057
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.181
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.231
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.293
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.325
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.524
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.585
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.645
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.762
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.780
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.808
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.956
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.006
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.095
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.183
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.228
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.325
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.463
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.508
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.542
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.634
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.840
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4.951
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.244
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.275
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.348
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.387
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.408
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.497
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.702
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.835
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 5.934
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 5.981
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.062
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.151
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.207
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.393
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.418
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.588
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.700
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 594 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 : 0.002211
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= 0.146 for 197 C-alpha atoms.
Bfactors> = 47.344 +/- 301.80
Bfactors> = 41.035 +/- 12.57
Bfactors> Shiftng-fct= -6.309
Bfactors> Scaling-fct= 0.042
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240414141807118960 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=0
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=100
240414141807118960.eigenfacs
240414141807118960.atom
making animated gifs
11 models are in 240414141807118960.7.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 240414141807118960.7.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 240414141807118960.7.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 240414141807118960 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=0
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=100
240414141807118960.eigenfacs
240414141807118960.atom
making animated gifs
11 models are in 240414141807118960.8.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 240414141807118960.8.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 240414141807118960.8.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 240414141807118960 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=0
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=100
240414141807118960.eigenfacs
240414141807118960.atom
making animated gifs
11 models are in 240414141807118960.9.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 240414141807118960.9.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 240414141807118960.9.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 240414141807118960 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=0
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=100
240414141807118960.eigenfacs
240414141807118960.atom
making animated gifs
11 models are in 240414141807118960.10.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 240414141807118960.10.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 240414141807118960.10.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 240414141807118960 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=0
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=100
240414141807118960.eigenfacs
240414141807118960.atom
making animated gifs
11 models are in 240414141807118960.11.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 240414141807118960.11.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 240414141807118960.11.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 240414141807118960 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=0
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=100
240414141807118960.eigenfacs
240414141807118960.atom
making animated gifs
11 models are in 240414141807118960.12.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 240414141807118960.12.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 240414141807118960.12.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 240414141807118960 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=0
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=100
240414141807118960.eigenfacs
240414141807118960.atom
making animated gifs
11 models are in 240414141807118960.13.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 240414141807118960.13.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 240414141807118960.13.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 240414141807118960 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=0
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=100
240414141807118960.eigenfacs
240414141807118960.atom
making animated gifs
11 models are in 240414141807118960.14.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 240414141807118960.14.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 240414141807118960.14.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 240414141807118960 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=0
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=100
240414141807118960.eigenfacs
240414141807118960.atom
making animated gifs
11 models are in 240414141807118960.15.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 240414141807118960.15.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 240414141807118960.15.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 240414141807118960 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=-20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=0
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=20
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=40
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=60
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=80
240414141807118960.eigenfacs
240414141807118960.atom
calculating perturbed structure for DQ=100
240414141807118960.eigenfacs
240414141807118960.atom
making animated gifs
11 models are in 240414141807118960.16.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 240414141807118960.16.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 240414141807118960.16.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
240414141807118960.10.pdb
240414141807118960.11.pdb
240414141807118960.12.pdb
240414141807118960.13.pdb
240414141807118960.14.pdb
240414141807118960.15.pdb
240414141807118960.16.pdb
240414141807118960.7.pdb
240414141807118960.8.pdb
240414141807118960.9.pdb
STDERR:
real 0m3.059s
user 0m3.043s
sys 0m0.016s
../../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: 240414141807118960.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
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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