*** ***
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 = 2404111520403683696.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 2404111520403683696.atom to be opened.
Openam> File opened: 2404111520403683696.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 = 198
First residue number = 94
Last residue number = 291
Number of atoms found = 198
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 18.002773 +/- 10.420963 From: -1.800000 To: 45.222000
= 1.583364 +/- 9.461896 From: -20.438000 To: 20.834000
= 8.258162 +/- 8.169307 From: -11.544000 To: 29.163000
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 5.5870 % Filled.
Pdbmat> 9873 non-zero elements.
Pdbmat> 965 atom-atom interactions.
Pdbmat> Number per atom= 9.75 +/- 3.16
Maximum number = 18
Minimum number = 2
Pdbmat> Matrix trace = 19300.0
Pdbmat> Larger element = 74.6995
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 9873
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 19300.0000006
%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 = 19300.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0076161 0.0592139 0.0795694
0.0914706 0.1007430 0.1491693 0.1584797 0.1612792
0.1993539 0.2127643 0.2558834 0.3275429 0.3940181
0.4277312 0.4649532 0.4888064 0.5375708 0.5486537
0.6418529 0.6717195 0.7000074 0.7779505 0.8140849
0.8307037 0.8557723 0.8843457 0.9059342 0.9584198
0.9638850 0.9873400 1.0776431 1.1589964 1.1996237
1.2293338 1.4581700 1.4713332 1.5654680 1.5922699
1.6466286 1.7039298 1.7669474 1.7912846 1.8496983
1.9873283 2.0222464 2.0833637 2.1945285 2.2354083
2.2931834 2.3271003 2.4439873 2.5542653 2.5810939
2.6711031 2.7575705 2.7834792 2.9043768 3.0032537
3.0517448 3.1735345 3.3299137 3.3600789 3.4515637
3.5352483 3.5856071 3.6055066 3.6409424 3.7377150
3.8159882 3.8731383 3.9489631 4.0810425 4.1628508
4.3380143 4.4891341 4.5263724 4.5914419 4.6840301
4.7337429 4.7713359 4.8604592 5.0199953 5.0685989
5.1891721 5.3314568 5.3424592 5.4306328 5.5114166
5.6283068 5.7657618 5.8413925 5.9165746 5.9918238
6.0671076 6.1353282 6.2052397 6.2440444 6.3475924
6.5229198 6.5917267 6.6851122 6.7179091 6.7649566
6.8616114 7.0925247 7.1505050 7.2781949 7.4078594
7.4752904 7.6006656 7.6453179 7.7346400 7.8104816
7.9653743 7.9995968 8.2010175 8.2212171 8.4087073
8.5120563 8.6386817 8.6975859 8.8052434 8.8498540
9.0260819 9.1391418 9.2150737 9.3130620 9.3550246
9.4274781 9.5189995 9.6305592 9.6456817 9.8052429
9.8279483 9.8906038 9.9609140 10.0810473 10.1611669
10.2743101 10.3641241 10.4649951 10.7358253 10.7793105
10.8168669 11.0414235 11.1517380 11.2327833 11.3930602
11.4885515 11.5989357 11.7683078 11.8991292 12.0295064
12.1141500 12.1584762 12.3678327 12.4063604 12.5658787
12.6901337 12.7814682 12.8938814 12.9329165 13.0572339
13.1845799 13.4085645 13.4685719 13.6716395 13.8820090
13.9937319 14.0468258 14.2187543 14.2455779 14.3082268
14.4322005 14.6774915 14.7504082 14.8162762 14.9316975
15.0756868 15.1146192 15.2839539 15.3612765 15.4981705
15.6613218 15.8335589 15.9267770 15.9469388 16.1078965
16.2548886 16.3981474 16.4720671 16.5611777 16.6865732
16.7344507 17.0107823 17.0845880 17.1890442 17.3165582
17.3264006 17.5029402 17.6734248 17.9317919 17.9567483
18.0827135 18.1706107 18.3266412 18.3830392 18.4385647
18.5164300 18.6882283 18.7645736 19.0035016 19.0613674
19.1205692 19.1914672 19.3486804 19.4476741 19.5815062
19.7147893 19.8495540 20.0411106 20.1206406 20.1671820
20.3339832 20.4317311 20.5779510 20.6507576 20.7027473
20.8785949 21.0785132 21.1810066 21.2526999 21.3707920
21.4342123 21.5844485 21.7399750 21.8511914 21.8844060
22.0177952 22.1494704 22.2919158 22.3832226 22.5004729
22.6206151 22.7884881 22.8971003 22.9480088 23.0928636
23.2246866 23.2734885 23.4749399 23.5532535 23.6547915
23.7310916 23.7669476 23.8565750 23.9441422 24.0938031
24.2040557 24.3055012 24.3832885 24.4155138 24.4727372
24.6053197 24.6480154 24.7349608 24.8908983 25.0139668
25.1268270 25.1842252 25.3341191 25.4149272 25.4882722
25.5324863 25.7759380 25.8652722 25.9055372 25.9733106
26.0732504 26.2113392 26.2454483 26.3940666 26.5090306
26.5864545 26.6855506 26.7768054 26.8905121 26.9878558
27.1530470 27.2437270 27.3351081 27.4742880 27.5164067
27.5933688 27.6824488 27.8225769 27.9986444 28.1616582
28.2712969 28.3877963 28.4472160 28.5732486 28.6307848
28.8116332 28.8891800 28.9267564 29.1093596 29.2427952
29.2852914 29.3354615 29.3970927 29.7425014 29.7588454
29.9485533 30.2470142 30.3009617 30.4141519 30.7178241
30.8249414 30.8924298 31.0415823 31.2835488 31.3490431
31.3709798 31.6467471 31.9816244 32.0433693 32.1227936
32.2366427 32.3600987 32.5331208 32.6770842 32.7508026
32.9977601 33.1963143 33.2965543 33.5663465 33.7022275
33.7612683 33.9214709 34.0863849 34.1700466 34.3336358
34.4808128 34.5719923 34.7161983 34.9423703 35.0972341
35.3083486 35.5467014 35.5670784 35.6765237 35.8257903
35.8983711 35.9659564 36.1777964 36.2937209 36.4369427
36.6667876 36.7587219 36.8142119 37.0718541 37.2067350
37.2711852 37.3281754 37.4824227 37.6432649 37.6663896
37.7898179 37.9029413 38.2782737 38.3856878 38.4320566
38.6575156 38.7602325 38.9606812 39.1175002 39.3051269
39.4521600 39.5275722 39.6833761 40.0109950 40.1239492
40.2076142 40.4673211 40.7714128 40.9008934 41.0435822
41.1396020 41.2317758 41.2768615 41.3662806 41.5112798
41.7710677 42.0637787 42.0985296 42.3100923 42.4819488
42.6009200 42.7714542 42.9316273 43.0307066 43.1332362
43.1830999 43.8446267 43.9121497 44.2698960 44.4531699
44.6530078 44.7084603 44.8535319 45.0869068 45.3432839
45.5123058 45.7292664 45.8021298 45.9647131 46.0724957
46.2264159 46.3940851 46.4585956 46.6141265 46.9560000
47.0572166 47.1762355 47.3764841 47.6319356 47.8499361
48.1357024 48.1936968 48.4423221 48.6186987 48.6884048
48.9256928 49.0354533 49.0726043 49.2680868 49.4034737
49.7783528 49.9180957 50.1351097 50.2450507 50.4684256
50.5159474 50.8243433 50.9380909 51.1122019 51.3784667
51.4871852 51.6338748 51.8722471 52.0801159 52.1914908
52.5609917 52.6288822 52.8892986 53.0727754 53.1660920
53.4038798 53.6863297 53.7646533 54.0282825 54.1918961
54.5157730 54.8961376 54.9965858 55.2144768 55.4418779
55.6361529 55.8122410 56.0100636 56.0809293 56.1667091
56.2675360 56.3400661 56.6005808 56.8101943 57.0089166
57.2829069 57.5274383 57.6093557 57.8043856 57.9665742
58.1914514 58.4561420 58.8519771 58.9685738 59.2873634
59.4017395 59.6869833 59.8952653 60.0254035 60.4146159
60.8790818 61.0003850 61.2955380 61.3771752 61.4791810
61.6755532 62.2137118 62.3528954 62.7892125 62.9023760
63.0568366 63.4548298 63.8088220 63.8934042 64.1916155
64.6505979 64.7985483 65.1944793 65.5918457 65.7675199
65.8540272 66.1069063 66.4412954 66.6660457 66.8824353
67.1095986 67.3038621 67.4767433 67.8113442 68.0372335
68.2919234 68.6847825 69.0470534 69.3076196 69.4872799
70.1993672 70.7183051 70.8148132 71.5383647 71.7541429
72.2376136 72.7272204 72.9192109 73.1835915 73.8527961
73.9213703 74.3518071 74.7272169 74.9951846 75.0984501
75.9753457 76.5310838 76.8860459 77.2393356 77.7366676
78.0794958 78.8096767 79.1015756 79.1634962 79.9795704
80.6267246 81.1097749 81.4907686 81.8969001 82.4252875
83.0788570 83.2466921 84.1443569 84.6760384 84.9922943
85.5081477 86.4039680 86.8916112 87.4083993 87.8901221
88.3434946 88.7747611 89.7905825 89.8338206 90.6760472
91.2429880 92.1279895 92.6477984 93.0512966 93.5042442
94.2751087 95.2674389 96.5687261 96.9438277 98.0293499
100.4028814 100.8651124 102.2887978 105.7609181
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034303 0.0034317 0.0034327 0.0034355 0.0034364
0.0034404 0.0034414 9.4767835 26.4245282 30.6314976
32.8424916 34.4669352 41.9406295 43.2296821 43.6098344
48.4850253 50.0892595 54.9308524 62.1483198 68.1637350
71.0200165 74.0457091 75.9213174 79.6183371 80.4348825
86.9987521 88.9998436 90.8545291 95.7792124 97.9783529
98.9733684 100.4556536 102.1189454 103.3578816 106.3097668
106.6124406 107.9017918 112.7282461 116.9058705 118.9372265
120.4010249 131.1291831 131.7197218 135.8680618 137.0262033
139.3455490 141.7493670 144.3467751 145.3374645 147.6881780
153.0840998 154.4231193 156.7392737 160.8666044 162.3580046
164.4427278 165.6543455 169.7636694 173.5514627 174.4605283
177.4763975 180.3261019 181.1712463 185.0639206 188.1877258
189.7008968 193.4491800 198.1580732 199.0535925 201.7452075
204.1762592 205.6253393 206.1951414 207.2059322 209.9415363
212.1283887 213.7109537 215.7927351 219.3718195 221.5596664
226.1730067 230.0787829 231.0310877 232.6857701 235.0201615
236.2640325 237.2003237 239.4053946 243.3027032 244.4776963
247.3684551 250.7368869 250.9954714 253.0582495 254.9334940
257.6227214 260.7495856 262.4541676 264.1377377 265.8121306
267.4768060 268.9764030 270.5045409 271.3490297 273.5897338
277.3424190 278.8013521 280.7693074 281.4571865 282.4410313
284.4515734 289.1982819 290.3779527 292.9591868 295.5572701
296.8993966 299.3788342 300.2569402 302.0058339 303.4828724
306.4773433 307.1350135 310.9776310 311.3603738 314.8907456
316.8199520 319.1677608 320.2540596 322.2299947 323.0452305
326.2457902 328.2826943 329.6436290 331.3916240 332.1373740
333.4210742 335.0355808 336.9931193 337.2575989 340.0356557
340.4291271 341.5125612 342.7242825 344.7847968 346.1521813
348.0740254 349.5920774 351.2891982 355.8057789 356.5256427
357.1461907 360.8343000 362.6323620 363.9476920 366.5350207
368.0678781 369.8318839 372.5223115 374.5871465 376.6337060
377.9564437 378.6472920 381.8933368 382.4877034 384.9388205
386.8373323 388.2269250 389.9304192 390.5202132 392.3926576
394.3014999 397.6366659 398.5254437 401.5185179 404.5958661
406.2207043 406.9905998 409.4737403 409.8597930 410.7600407
412.5357188 416.0266951 417.0588107 417.9889610 419.6139056
421.6322614 422.1763349 424.5346477 425.6071677 427.4993880
429.7436688 432.1002838 433.3703852 433.6446009 435.8275662
437.8116144 439.7366597 440.7266701 441.9171827 443.5870508
444.2229694 447.8756208 448.8461825 450.2162277 451.8830682
452.0114709 454.3084192 456.5156158 459.8404012 460.1602787
461.7714529 462.8923914 464.8755651 465.5903136 466.2929355
467.2764666 469.4391934 470.3970938 473.3823874 474.1025671
474.8382419 475.7177640 477.6622889 478.8826631 480.5275895
482.1601902 483.8053392 486.1341968 487.0978161 487.6608470
489.6733974 490.8489453 492.6021968 493.4728625 494.0936482
496.1876084 498.5575152 499.7681533 500.6132440 502.0021639
502.7464862 504.5053295 506.3196710 507.6131231 507.9987709
509.5445893 511.0659582 512.7066820 513.7556217 515.0994702
516.4728368 518.3857290 519.6195996 520.1969289 521.8361671
523.3234684 523.8730085 526.1354013 527.0122778 528.1470308
528.9981317 529.3976199 530.3948850 531.3674184 533.0254658
534.2436299 535.3620363 536.2180371 536.5722567 537.2006797
538.6538723 539.1210123 540.0710450 541.7707640 543.1084564
544.3322996 544.9536646 546.5730124 547.4440192 548.2333846
548.7086848 551.3184413 552.2729938 552.7026942 553.4252048
554.4889143 555.9553134 556.3169311 557.8898170 559.1034907
559.9193711 560.9618988 561.9202215 563.1120442 564.1303573
565.8542291 566.7983016 567.7480853 569.1916278 569.6277528
570.4238077 571.3438181 572.7880600 574.5975668 576.2678516
577.3885221 578.5769399 579.1821461 580.4637322 581.0478606
582.8800876 583.6639736 584.0434387 585.8839564 587.2252503
587.6517789 588.1549311 588.7724383 592.2213036 592.3839987
594.2691755 597.2230151 597.7553707 598.8707962 601.8531047
602.9015638 603.5612020 605.0164816 607.3699307 608.0053832
608.2180747 610.8855023 614.1091092 614.7016346 615.4629781
616.5526703 617.7321418 619.3813772 620.7502864 621.4500881
623.7887110 625.6626278 626.6065445 629.1400271 630.4121626
630.9641104 632.4593509 633.9948817 634.7724445 636.2901173
637.6524428 638.4949759 639.8252286 641.9060386 643.3269222
645.2588703 647.4331512 647.6186943 648.6143393 649.9697876
650.6278534 651.2400288 653.1551201 654.2007351 655.4902638
657.5544351 658.3782598 658.8750071 661.1765377 662.3782464
662.9516894 663.4583455 664.8277016 666.2526083 666.4572205
667.5482777 668.5466802 671.8486551 672.7906440 673.1968773
675.1686217 676.0650217 677.8109039 679.1736478 680.8005242
682.0727090 682.7242836 684.0684909 686.8864609 687.8553452
688.5721165 690.7923321 693.3829537 694.4830927 695.6934416
696.5067396 697.2865695 697.6676956 698.4229743 699.6459777
701.8318423 704.2865948 704.5774568 706.3456363 707.7787118
708.7690896 710.1862968 711.5148286 712.3353863 713.1835246
713.5956398 719.0406923 719.5941592 722.5194308 724.0134727
725.6390383 726.0894675 727.2665341 729.1560794 731.2262362
732.5878296 734.3319050 734.9167011 736.2199084 737.0825833
738.3127889 739.6505549 740.1646150 741.4025160 744.1163162
744.9178790 745.8593210 747.4406164 749.4529881 751.1660673
753.4057612 753.8594803 755.8015124 757.1761846 757.7187834
759.5629496 760.4144790 760.7024825 762.2161198 763.2626722
766.1530608 767.2277190 768.8936336 769.7362233 771.4453378
771.8084543 774.1607844 775.0266074 776.3500323 778.3695712
779.1926640 780.3018545 782.1009459 783.6664443 784.5039442
787.2760788 787.7843579 789.7309962 791.0996272 791.7948076
793.5635016 795.6592889 796.2394755 798.1892255 799.3968888
801.7821206 804.5743350 805.3100980 806.9038004 808.5637119
809.9791248 811.2599017 812.6963572 813.2103195 813.8320134
814.5621559 815.0869807 816.9692756 818.4806521 819.9109264
821.8788499 823.6312152 824.2174203 825.6113882 826.7688347
828.3709782 830.2528111 833.0590926 833.8839064 836.1348958
836.9410348 838.9480999 840.4106105 841.3231209 844.0463370
847.2846279 848.1283265 850.1777030 850.7436741 851.4503278
852.8090631 856.5216342 857.4791973 860.4740912 861.2491485
862.3059248 865.0229340 867.4324083 868.0071334 870.0304107
873.1353126 874.1338104 876.8003019 879.4683321 880.6452818
881.2242697 882.9145967 885.1448072 886.6406284 888.0784245
889.5853061 890.8719258 892.0153689 894.2242787 895.7124349
897.3873691 899.9648424 902.3351079 904.0360972 905.2070671
909.8334069 913.1901153 913.8130111 918.4695957 919.8537240
922.9474524 926.0699133 927.2914607 928.9709639 933.2086414
933.6417945 936.3561007 938.7170027 940.3985905 941.0458145
946.5239836 949.9794528 952.1799746 954.3650905 957.4326642
959.5415394 964.0178008 965.8014371 966.1793773 971.1466444
975.0677419 977.9842896 980.2785217 982.7182288 985.8833123
989.7842450 990.7835171 996.1110965 999.2531960 1001.1175081
1004.1510104 1009.3972654 1012.2416559 1015.2473485 1018.0411062
1020.6634608 1023.1517147 1028.9888639 1029.2365858 1034.0500742
1037.2776724 1042.2960143 1045.2323246 1047.5059408 1050.0523285
1054.3718467 1059.9064263 1067.1206680 1069.1911661 1075.1606014
1088.0988932 1090.6006915 1098.2704977 1116.7549503
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404111520403683696.eigenfacs
Openam> file on opening on unit 10:
2404111520403683696.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404111520403683696.atom
Openam> file on opening on unit 11:
2404111520403683696.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 = 198
First residue number = 94
Last residue number = 291
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: 9.9787E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9870E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9926E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0014E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0037E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0044E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 7.6161E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.9214E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.9569E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.1471E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1492
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1585
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1994
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2128
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2559
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3275
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3940
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4650
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5487
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6717
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7000
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7780
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8141
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8307
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8843
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9584
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9639
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.078
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.159
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.200
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.229
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.458
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.565
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.592
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.647
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.704
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.767
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.791
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.850
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 1.987
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.022
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.083
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.195
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.235
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.293
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.327
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.554
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.581
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.671
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.758
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 2.783
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 2.904
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.003
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.052
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.174
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.330
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.360
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.535
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.586
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.606
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.641
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 3.738
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 3.816
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 3.873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 3.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.163
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.338
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.489
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.526
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.591
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.684
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4.734
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 4.771
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 4.860
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.020
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.069
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.189
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.331
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.342
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.628
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.766
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 5.841
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 5.917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 5.992
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.067
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.135
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.205
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.244
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.348
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.523
%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> 7 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.007616
Bfactors> 99 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.203 for 198 C-alpha atoms.
Bfactors> = 21.107 +/- 77.57
Bfactors> = 27.085 +/- 13.37
Bfactors> Shiftng-fct= 5.978
Bfactors> Scaling-fct= 0.172
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404111520403683696 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=0
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=100
2404111520403683696.eigenfacs
2404111520403683696.atom
making animated gifs
11 models are in 2404111520403683696.7.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 2404111520403683696.7.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 2404111520403683696.7.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 2404111520403683696 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=0
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=100
2404111520403683696.eigenfacs
2404111520403683696.atom
making animated gifs
11 models are in 2404111520403683696.8.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 2404111520403683696.8.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 2404111520403683696.8.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 2404111520403683696 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=0
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=100
2404111520403683696.eigenfacs
2404111520403683696.atom
making animated gifs
11 models are in 2404111520403683696.9.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 2404111520403683696.9.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 2404111520403683696.9.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 2404111520403683696 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=0
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=100
2404111520403683696.eigenfacs
2404111520403683696.atom
making animated gifs
11 models are in 2404111520403683696.10.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 2404111520403683696.10.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 2404111520403683696.10.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 2404111520403683696 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=0
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=100
2404111520403683696.eigenfacs
2404111520403683696.atom
making animated gifs
11 models are in 2404111520403683696.11.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 2404111520403683696.11.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 2404111520403683696.11.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 2404111520403683696 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=0
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=100
2404111520403683696.eigenfacs
2404111520403683696.atom
making animated gifs
11 models are in 2404111520403683696.12.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 2404111520403683696.12.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 2404111520403683696.12.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 2404111520403683696 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=0
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=100
2404111520403683696.eigenfacs
2404111520403683696.atom
making animated gifs
11 models are in 2404111520403683696.13.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 2404111520403683696.13.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 2404111520403683696.13.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 2404111520403683696 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=0
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=100
2404111520403683696.eigenfacs
2404111520403683696.atom
making animated gifs
11 models are in 2404111520403683696.14.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 2404111520403683696.14.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 2404111520403683696.14.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 2404111520403683696 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=0
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=100
2404111520403683696.eigenfacs
2404111520403683696.atom
making animated gifs
11 models are in 2404111520403683696.15.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 2404111520403683696.15.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 2404111520403683696.15.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 2404111520403683696 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=-20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=0
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=20
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=40
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=60
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=80
2404111520403683696.eigenfacs
2404111520403683696.atom
calculating perturbed structure for DQ=100
2404111520403683696.eigenfacs
2404111520403683696.atom
making animated gifs
11 models are in 2404111520403683696.16.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 2404111520403683696.16.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 2404111520403683696.16.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
2404111520403683696.10.pdb
2404111520403683696.11.pdb
2404111520403683696.12.pdb
2404111520403683696.13.pdb
2404111520403683696.14.pdb
2404111520403683696.15.pdb
2404111520403683696.16.pdb
2404111520403683696.7.pdb
2404111520403683696.8.pdb
2404111520403683696.9.pdb
STDERR:
real 0m3.036s
user 0m3.024s
sys 0m0.012s
../../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: 2404111520403683696.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
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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
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
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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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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