*** ***
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 = 2404260310462850495.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 2404260310462850495.atom to be opened.
Openam> File opened: 2404260310462850495.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 = 196
First residue number = 96
Last residue number = 313
Number of atoms found = 201
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 96.690070 +/- 7.629220 From: 79.803000 To: 115.624000
= 82.515015 +/- 9.454592 From: 62.360000 To: 100.028000
= -30.165358 +/- 10.671438 From: -51.939000 To: -9.843000
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 5.6659 % Filled.
Pdbmat> 10318 non-zero elements.
Pdbmat> 1013 atom-atom interactions.
Pdbmat> Number per atom= 10.08 +/- 3.20
Maximum number = 19
Minimum number = 4
Pdbmat> Matrix trace = 20260.0
Pdbmat> Larger element = 72.9553
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 201 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) = 603
Diagstd> Number of non-zero elements 10318
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 20260.0000006
%Diagstd-Wn: Nb on non-zero elements there: 603
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 603 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 20260.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0034846 0.0584463 0.0683757 0.1163066
0.1434225 0.1455374 0.1627602 0.1730022 0.2180090
0.2425801 0.2744289 0.3013772 0.3671566 0.3936001
0.4353247 0.5051086 0.5477807 0.5627189 0.6178944
0.6624511 0.6678712 0.6830558 0.7971386 0.8580262
0.9387990 0.9661891 0.9749553 1.0665491 1.0975585
1.1781567 1.1858214 1.2848858 1.3613810 1.3934712
1.4553994 1.5132152 1.5663067 1.5951378 1.6741956
1.7195066 1.7840021 1.8478970 1.9783352 2.0071590
2.0624625 2.2073753 2.2438335 2.2913110 2.3467981
2.4290047 2.5226450 2.6259133 2.6998526 2.7695592
2.7874424 2.8856893 2.9015994 3.1295173 3.2725765
3.2871379 3.4341729 3.4714875 3.5233777 3.6459789
3.6804930 3.7355758 3.9583537 4.0546510 4.1546946
4.1790611 4.2918085 4.3179918 4.4970876 4.6232248
4.6519340 4.7703459 4.7942655 4.8570802 4.9459346
5.1642129 5.1893252 5.2695872 5.3649491 5.4125024
5.4980777 5.5941477 5.7838160 5.8247985 6.0365666
6.0969469 6.1948752 6.2048855 6.3202223 6.3894998
6.4865836 6.5699739 6.6633477 6.8208462 6.9726683
7.0502894 7.1172205 7.1589360 7.3365394 7.4288595
7.5689812 7.6750839 7.7436855 7.8365523 8.0229181
8.0362092 8.1037490 8.1696790 8.3458286 8.4058921
8.5934868 8.6904265 8.7366006 8.9127739 8.9925681
9.1525908 9.1865263 9.2430379 9.3025714 9.4869204
9.5985208 9.7663888 9.8346742 9.8819207 10.0430402
10.1797927 10.1912468 10.3205622 10.3633593 10.4262014
10.5348154 10.5641195 10.7573953 10.8952709 10.9590222
11.0354714 11.2372168 11.2861814 11.3735881 11.6261947
11.6338865 11.7801732 11.9150320 11.9754256 12.1144969
12.2294980 12.3583240 12.4363129 12.5106898 12.6564359
12.7486884 12.8455045 12.8971525 12.9121792 13.0939598
13.1147056 13.2591239 13.3781426 13.4573669 13.5065959
13.7561089 13.8580361 13.9818299 14.1241127 14.2366406
14.3596964 14.5065033 14.6713818 14.8056972 15.0108660
15.0401825 15.1706983 15.2281758 15.3430993 15.5343398
15.5772194 15.6468775 15.7159532 15.8696607 15.9886967
16.0592148 16.1408505 16.1763713 16.4654125 16.5026071
16.6068703 16.7607628 16.8819832 16.9574326 17.1118537
17.2376135 17.2703675 17.3453997 17.4548122 17.6113942
17.7053214 17.7674440 17.9333258 17.9567227 18.0651865
18.2067333 18.2507645 18.4407888 18.6563007 18.7912745
18.9302150 19.0805654 19.0832667 19.2308348 19.4447672
19.4539137 19.5583168 19.8537982 19.8869251 19.9444384
19.9705184 20.1318777 20.3262561 20.4320220 20.6014256
20.7446973 20.8010617 20.9749623 21.1034020 21.2116457
21.3644803 21.4270376 21.5354275 21.5712518 21.6476762
21.8072205 21.8406878 21.9167040 22.0368198 22.1587380
22.3918686 22.4798275 22.5897494 22.7072828 22.8093932
22.9246708 22.9607973 23.0092186 23.1622190 23.3075199
23.5047532 23.5995237 23.7015173 23.8814175 23.9640847
24.1141992 24.2025532 24.2906202 24.3152478 24.5276428
24.5453509 24.5661455 24.6571862 24.7621968 24.8622262
24.9657950 25.0409188 25.2134374 25.2784982 25.3942912
25.5189026 25.6427673 25.7032203 25.9078624 25.9619990
26.1231631 26.3071979 26.3842500 26.4129760 26.6168884
26.7188686 26.8887406 26.9198878 26.9788358 27.1534159
27.3276493 27.3838077 27.5023719 27.5509168 27.6213564
27.7216443 27.9086763 27.9731329 27.9899409 28.0507469
28.1881571 28.2051313 28.3057701 28.4334975 28.6188461
28.7219292 28.8147888 28.8545362 29.0011721 29.1437839
29.3463049 29.4228714 29.6659314 29.7372394 29.9840617
30.1669773 30.2057800 30.2934139 30.5283032 30.6434929
30.9046316 30.9997599 31.0199929 31.2506405 31.3344547
31.5776430 31.7009039 31.8414804 32.1823856 32.2299901
32.3461629 32.4209138 32.6069379 32.7367639 32.9736393
33.1114157 33.2335649 33.3329492 33.5401627 33.6421655
33.7937324 34.0806901 34.3679023 34.4883168 34.5264028
34.7315053 34.9228641 35.0098741 35.1545330 35.2983920
35.4080670 35.4866418 35.6785591 35.8638801 36.0376973
36.1978780 36.2752416 36.3765643 36.4544524 36.6780821
36.9129499 36.9329957 37.0739931 37.3209299 37.4401907
37.5102870 37.6998087 37.8538024 37.9881412 38.1035297
38.1934348 38.3584184 38.5059174 38.6433710 38.7775987
38.9248894 39.0065662 39.1844553 39.4114611 39.5267614
39.7125954 39.8445877 39.9076785 39.9862773 40.0801839
40.3345411 40.3919814 40.4281915 40.4467292 40.7663963
40.8914403 41.0391659 41.1594063 41.2660877 41.5386817
41.6172994 41.6254815 41.6842273 42.1092195 42.2242307
42.5171433 42.5779593 42.6836836 42.7890945 43.0196529
43.2137130 43.3890788 43.5745918 43.6324640 43.8447254
44.1778317 44.2924073 44.4300512 44.5177153 44.7031225
45.0162112 45.1390399 45.3398445 45.6580625 45.7644125
46.0617483 46.2826204 46.4217869 46.4997240 46.7093546
46.8788257 47.0124660 47.3736235 47.5286286 47.6551635
47.6619848 47.9358086 48.0403224 48.1505738 48.3259524
48.4186844 48.4976356 48.6221114 48.9272812 49.0275429
49.1939073 49.5107120 49.8192826 49.8504135 50.1015545
50.2199642 50.2983607 50.4817759 50.5979836 50.8140706
51.0423571 51.2533008 51.3557092 51.4892043 51.8033948
52.0094534 52.0679867 52.1910470 52.2739664 52.4399712
52.5344876 52.9011357 53.0733677 53.2563196 53.4052200
53.5455070 53.6461986 53.9454547 54.2765694 54.4641878
54.5035934 54.6784296 54.9772420 55.0148523 55.2855562
55.3899189 55.5199680 55.6755924 55.8164785 55.9700807
56.3662925 56.5406399 56.7788382 56.8448147 57.2005996
57.4816918 57.6803380 57.9229036 58.0332676 58.2115318
58.3663881 58.5945695 58.9124743 59.1578595 59.2724082
59.4824701 59.5864227 59.6382070 59.8809274 59.9992337
60.2221107 60.4426800 60.5525959 60.6247276 61.1664695
61.2281225 61.5851996 61.7257086 62.2640351 62.4329535
62.6326415 62.8774515 63.0732514 63.3383268 63.6856526
63.9597417 64.1868636 64.6147765 64.8841525 65.1422571
65.4002601 65.6902052 65.9325274 65.9652657 66.0468664
66.5174878 66.5573243 66.8869559 67.3334431 67.5979118
67.8761814 68.2280848 68.5659959 69.0855980 69.2473728
69.4410579 69.6861743 70.1109571 70.4157792 70.5121089
70.9666421 71.2543662 71.7160948 72.0407730 72.2630058
72.5833869 72.8374858 73.3230764 73.7804319 74.0365490
74.4897173 75.1480730 75.2468642 75.5617447 76.1603864
76.6632543 77.0181835 77.2980749 77.6756991 77.7768602
77.8690180 78.8137413 79.4057087 79.7576954 80.1002446
80.7214942 81.0372590 81.4247075 81.8571085 82.5402347
83.0768169 83.4293364 84.1147186 84.6215452 84.8707142
85.2946303 85.7963502 86.3361611 86.7406175 87.4774525
88.0684306 88.8205229 89.0842218 89.7363545 89.8508134
90.5085021 91.6564807 92.3406418 92.6930910 93.4184572
93.6969621 94.1203831 94.8807749 95.3852537 96.2404638
96.5979223 97.4245370 98.6508623 100.4121091 103.1958956
104.7187888 105.0583461 108.7414955
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034199 0.0034275 0.0034293 0.0034315 0.0034357
0.0034372 6.4102190 26.2526871 28.3952873 37.0337377
41.1248162 41.4269197 43.8096037 45.1669860 50.7028668
53.4838788 56.8866345 59.6143072 65.7992508 68.1275637
71.6476516 77.1769592 80.3708630 81.4593702 85.3596058
88.3837037 88.7445401 89.7477121 96.9532144 100.5878582
105.2159541 106.7397889 107.2229225 112.1464970 113.7651170
117.8682438 118.2510294 123.0913539 126.7024813 128.1870868
131.0045499 133.5812882 135.9044534 137.1495476 140.5071345
142.3958090 145.0417265 147.6162482 152.7373383 153.8459863
155.9510523 161.3367757 162.6636789 164.3755804 166.3539605
169.2425111 172.4738865 175.9687194 178.4289455 180.7176658
181.3001779 184.4675867 184.9754137 192.1029181 196.4446389
196.8811967 201.2363167 202.3266456 203.8331809 207.3491948
208.3283043 209.8814500 216.0491581 218.6613462 221.3425118
221.9906295 224.9652558 225.6504416 230.2825109 233.4897327
234.2135698 237.1757132 237.7695965 239.3221629 241.5012962
246.7728340 247.3721043 249.2777846 251.5232191 252.6354739
254.6248092 256.8397525 261.1575079 262.0811190 266.8027347
268.1337523 270.2785377 270.4968224 272.9992511 274.4913796
276.5688661 278.3409482 280.3118897 283.6053430 286.7442924
288.3359218 289.7013311 290.5490898 294.1310735 295.9759025
298.7541819 300.8408778 302.1823766 303.9889501 307.5823855
307.8370571 309.1279488 310.3828937 313.7111909 314.8380290
318.3317721 320.1222248 320.9715371 324.1915758 325.6395511
328.5241528 329.1326306 330.1434208 331.2049253 334.4705693
336.4321065 339.3612761 340.5455968 341.3626192 344.1342370
346.4692917 346.6641563 348.8566123 349.5791784 350.6374782
352.4591145 352.9489809 356.1630348 358.4382068 359.4853390
360.7370304 364.0195103 364.8117299 366.2216610 370.2662055
370.3886691 372.7100618 374.8373747 375.7861404 377.9618543
379.7515854 381.7465039 382.9491413 384.0925718 386.3233807
387.7287756 389.1982361 389.9798774 390.2069967 392.9441085
393.2552714 395.4145941 397.1853220 398.3596361 399.0875996
402.7569864 404.2463654 406.0479181 408.1087128 409.7312047
411.4981714 413.5963057 415.9400980 417.8397101 420.7248401
421.1354824 422.9588009 423.7592794 425.3552800 427.9979415
428.5882385 429.5454479 430.4925532 432.5926153 434.2119906
435.1684825 436.2731524 436.7529369 440.6376347 441.1350447
442.5263926 444.5720648 446.1768289 447.1727495 449.2042016
450.8518436 451.2799829 452.2592272 453.6833808 455.7137675
456.9273856 457.7282937 459.8600685 460.1599510 461.5476091
463.3522710 463.9122179 466.3210575 469.0380191 470.7316497
472.4687114 474.3412568 474.3748325 476.2054359 478.8468709
478.9594789 480.2429722 483.8570593 484.2605591 484.9602982
485.2772697 487.2338151 489.5803481 490.8524395 492.8830891
494.5939864 495.2654489 497.3313933 498.8517689 500.1294891
501.9280274 502.6623365 503.9321064 504.3510792 505.2437172
507.1021336 507.4911059 508.3734967 509.7646789 511.1728645
513.8548371 514.8631000 516.1203541 517.4612875 518.6234455
519.9323436 520.3418569 520.8902342 522.6192017 524.2558828
526.4693925 527.5296800 528.6684037 530.6709699 531.5886543
533.2510291 534.2270469 535.1981237 535.4693661 537.8029584
537.9970603 538.2249056 539.2212984 540.3683023 541.4586383
542.5852460 543.4009710 545.2696302 545.9726841 547.2217210
548.5627037 549.8924108 550.5402167 552.7274984 553.3046814
555.0193974 556.9709912 557.7860607 558.0896243 560.2397528
561.3119809 563.0934962 563.4195378 564.0360758 565.8580726
567.6706204 568.2536037 569.4824644 569.9848442 570.7130207
571.7481571 573.6736462 574.3357291 574.5082521 575.1319507
576.5389094 576.7124717 577.7404396 579.0424750 580.9267027
581.9719919 582.9120062 583.3139052 584.7941981 586.2302837
588.2636222 589.0305326 591.4584956 592.1689131 594.6213680
596.4323321 596.8157937 597.6809166 599.9935935 601.1244791
603.6803867 604.6087741 604.8060506 607.0503889 607.8638986
610.2181708 611.4079809 612.7621143 616.0335958 616.4890492
617.5991149 618.3123286 620.0836613 621.3168810 623.5606800
624.8620581 626.0135671 626.9489085 628.8945953 629.8501715
631.2673979 633.9419196 636.6075611 637.7218247 638.0738503
639.9662686 641.7268451 642.5257759 643.8518484 645.1678850
646.1694030 646.8859697 648.6328413 650.3152186 651.8892158
653.3363716 654.0341673 654.9469429 655.6477417 657.6557011
659.7579876 659.9371064 661.1956116 663.3939529 664.4530609
665.0747709 666.7528079 668.1131747 669.2976526 670.3133740
671.1037088 672.5516246 673.8434605 675.0450895 676.2164576
677.4994916 678.2099245 679.7546505 681.7208051 682.7172815
684.3202879 685.4565788 685.9990478 686.6742579 687.4801022
689.6580982 690.1489942 690.4582729 690.6165537 693.3402954
694.4028334 695.6560123 696.6743665 697.5766395 699.8768605
700.5388543 700.6077153 701.1019226 704.6669069 705.6285641
708.0718330 708.5780612 709.4572424 710.3327333 712.2438885
713.8485339 715.2955037 716.8230205 717.2988751 719.0415016
721.7677587 722.7031087 723.8251801 724.5389111 726.0461217
728.5842021 729.5775119 731.1985027 733.7599769 734.6140425
736.9966079 738.7614926 739.8713441 740.4921655 742.1594358
743.5045705 744.5635930 747.4180510 748.6398170 749.6357027
749.6893514 751.8397949 752.6589612 753.5221335 754.8931613
755.6170917 756.2328925 757.2027580 759.5752791 760.3531409
761.6420958 764.0906160 766.4679771 766.7074138 768.6362824
769.5440412 770.1444604 771.5473656 772.4348958 774.0825430
775.8194104 777.4208795 778.1971677 779.2079422 781.5817150
783.1346231 783.5751834 784.5006084 785.1235559 786.3692135
787.0775604 789.8193660 791.1040421 792.4663962 793.5734593
794.6150711 795.3618516 797.5771613 800.0211627 801.4026905
801.6925508 802.9773528 805.1684608 805.4438243 807.4230100
808.1847380 809.1329435 810.2661640 811.2906986 812.4062331
815.2766709 816.5365697 818.2547427 818.7300069 821.2881769
823.3036698 824.7250360 826.4573425 827.2443175 828.5138908
829.6151788 831.2352735 833.4871561 835.2211941 836.0294318
837.5095689 838.2410727 838.6052356 840.3100142 841.1397015
842.7005291 844.2423551 845.0096396 845.5127880 849.2821322
849.7100435 852.1841588 853.1557503 856.8679749 858.0295018
859.4005842 861.0785003 862.4181544 864.2284788 866.5948066
868.4576216 869.9982071 872.8933874 874.7110212 876.4490635
878.1829848 880.1274970 881.7493381 881.9682239 882.5135639
885.6521873 885.9173510 888.1084370 891.0676802 892.8159088
894.6516785 896.9678370 899.1862855 902.5869307 903.6430878
904.9059517 906.5016352 909.2602974 911.2347535 911.8578314
914.7921066 916.6446771 919.6098123 921.6891229 923.1096510
925.1537107 926.7716786 929.8558324 932.7513300 934.3688765
937.2240904 941.3566707 941.9752312 943.9440835 947.6759291
950.7994146 952.9978393 954.7279114 957.0571358 957.6801455
958.2473553 964.0426600 967.6563334 969.7986574 971.8790070
975.6406265 977.5470101 979.8811064 982.4794607 986.5705110
989.7720922 991.8698173 995.9356501 998.9316096 1000.4012109
1002.8965237 1005.8418164 1009.0011177 1011.3617748 1015.6482952
1019.0732664 1023.4153888 1024.9334700 1028.6780941 1029.3339255
1033.0943088 1039.6253705 1043.4982490 1045.4877837 1049.5705240
1051.1338823 1053.5062666 1057.7533071 1060.5616033 1065.3054132
1067.2819702 1071.8387541 1078.5635100 1088.1488941 1103.1294845
1111.2392829 1113.0394563 1132.3819314
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404260310462850495.eigenfacs
Openam> file on opening on unit 10:
2404260310462850495.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404260310462850495.atom
Openam> file on opening on unit 11:
2404260310462850495.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 = 196
First residue number = 96
Last residue number = 313
Number of atoms found = 201
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: 9.9185E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9624E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9731E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9858E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0010E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0019E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.4846E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.8446E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.8376E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1163
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1434
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1455
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1628
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1730
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2180
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2426
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2744
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3936
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4353
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5051
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5478
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5627
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6179
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6625
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6679
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6831
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7971
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8580
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9388
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9662
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9750
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.067
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.098
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.178
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.186
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.285
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.361
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.393
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.455
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.513
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.566
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.595
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.674
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.720
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.784
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.848
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.978
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.062
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.207
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.244
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.291
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.347
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.429
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.523
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.626
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.700
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.770
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.787
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.886
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 2.902
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.130
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.273
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.287
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.434
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.523
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.646
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.680
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.736
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.055
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.155
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.179
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.292
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.318
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.497
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.652
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.770
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.794
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.857
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.946
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.164
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.189
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.270
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.365
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.413
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.498
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.594
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.784
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.825
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 6.037
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.097
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.195
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.205
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.320
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.487
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.570
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.663
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.821
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.973
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 7.050
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 603 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 : 0.003485
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= 0.178 for 200 C-alpha atoms.
Bfactors> = 32.558 +/- 171.33
Bfactors> = 14.746 +/- 6.88
Bfactors> Shiftng-fct= -17.812
Bfactors> Scaling-fct= 0.040
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404260310462850495 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=0
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=100
2404260310462850495.eigenfacs
2404260310462850495.atom
making animated gifs
11 models are in 2404260310462850495.7.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 2404260310462850495.7.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 2404260310462850495.7.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 2404260310462850495 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=0
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=100
2404260310462850495.eigenfacs
2404260310462850495.atom
making animated gifs
11 models are in 2404260310462850495.8.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 2404260310462850495.8.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 2404260310462850495.8.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 2404260310462850495 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=0
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=100
2404260310462850495.eigenfacs
2404260310462850495.atom
making animated gifs
11 models are in 2404260310462850495.9.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 2404260310462850495.9.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 2404260310462850495.9.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 2404260310462850495 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=0
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=100
2404260310462850495.eigenfacs
2404260310462850495.atom
making animated gifs
11 models are in 2404260310462850495.10.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 2404260310462850495.10.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 2404260310462850495.10.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 2404260310462850495 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=0
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=100
2404260310462850495.eigenfacs
2404260310462850495.atom
making animated gifs
11 models are in 2404260310462850495.11.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 2404260310462850495.11.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 2404260310462850495.11.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 2404260310462850495 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=0
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=100
2404260310462850495.eigenfacs
2404260310462850495.atom
making animated gifs
11 models are in 2404260310462850495.12.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 2404260310462850495.12.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 2404260310462850495.12.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 2404260310462850495 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=0
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=100
2404260310462850495.eigenfacs
2404260310462850495.atom
making animated gifs
11 models are in 2404260310462850495.13.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 2404260310462850495.13.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 2404260310462850495.13.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 2404260310462850495 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=0
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=100
2404260310462850495.eigenfacs
2404260310462850495.atom
making animated gifs
11 models are in 2404260310462850495.14.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 2404260310462850495.14.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 2404260310462850495.14.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 2404260310462850495 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=0
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=100
2404260310462850495.eigenfacs
2404260310462850495.atom
making animated gifs
11 models are in 2404260310462850495.15.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 2404260310462850495.15.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 2404260310462850495.15.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 2404260310462850495 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=-20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=0
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=20
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=40
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=60
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=80
2404260310462850495.eigenfacs
2404260310462850495.atom
calculating perturbed structure for DQ=100
2404260310462850495.eigenfacs
2404260310462850495.atom
making animated gifs
11 models are in 2404260310462850495.16.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 2404260310462850495.16.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 2404260310462850495.16.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
2404260310462850495.10.pdb
2404260310462850495.11.pdb
2404260310462850495.12.pdb
2404260310462850495.13.pdb
2404260310462850495.14.pdb
2404260310462850495.15.pdb
2404260310462850495.16.pdb
2404260310462850495.7.pdb
2404260310462850495.8.pdb
2404260310462850495.9.pdb
STDERR:
real 0m3.047s
user 0m3.043s
sys 0m0.004s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404260310462850495.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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