*** ***
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 = 2404131342263939023.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 2404131342263939023.atom to be opened.
Openam> File opened: 2404131342263939023.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 = 185
First residue number = 96
Last residue number = 290
Number of atoms found = 185
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 103.570751 +/- 9.463154 From: 82.027000 To: 123.532000
= -69.303443 +/- 8.267547 From: -89.237000 To: -50.120000
= -263.740454 +/- 9.498110 From: -283.712000 To: -242.915000
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 5.8701 % Filled.
Pdbmat> 9057 non-zero elements.
Pdbmat> 883 atom-atom interactions.
Pdbmat> Number per atom= 9.55 +/- 3.09
Maximum number = 18
Minimum number = 3
Pdbmat> Matrix trace = 17660.0
Pdbmat> Larger element = 67.1586
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 185 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) = 555
Diagstd> Number of non-zero elements 9057
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 17660.0000006
%Diagstd-Wn: Nb on non-zero elements there: 555
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 555 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 17660.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0009347 0.0563740 0.0700566 0.1031621
0.1127225 0.1305124 0.1514824 0.1659298 0.1836004
0.2320491 0.2392942 0.2646909 0.2961996 0.3659486
0.3887008 0.4499897 0.4790995 0.5286450 0.5636866
0.5774612 0.6435032 0.7102497 0.7873136 0.8804484
0.9037531 0.9418098 0.9577891 0.9840689 1.0167201
1.0808485 1.1131914 1.1664424 1.2532460 1.3813922
1.4022963 1.4895580 1.5187790 1.6385662 1.6990734
1.7599978 1.8355911 1.8784280 1.9308797 1.9747626
2.1084013 2.2227705 2.2465259 2.3189546 2.4091109
2.4359931 2.5240275 2.5895086 2.6672045 2.8014929
2.8363577 2.8990333 3.0896251 3.1582072 3.2116459
3.4512263 3.5177144 3.5766582 3.6706318 3.7775915
3.8847998 3.9311217 3.9615618 4.0672099 4.1330002
4.2146624 4.2493728 4.4257980 4.4493963 4.4947222
4.6609580 4.7592056 4.8297094 4.9148073 4.9891819
5.0499943 5.1570003 5.1979087 5.3082306 5.3601296
5.4714103 5.5558933 5.6089887 5.6489482 5.7508359
5.9054151 6.0396326 6.0530479 6.1967590 6.2742050
6.3845135 6.5290973 6.5824547 6.7011999 6.7407571
6.7907944 6.8397984 6.9967192 7.0752918 7.1910047
7.3821215 7.4870544 7.5158869 7.6945159 7.7662628
7.9213644 8.0716503 8.1974658 8.2382079 8.3357511
8.4434337 8.5207258 8.5822040 8.7843513 8.8664786
8.9482196 9.0712391 9.1799518 9.3150925 9.3981149
9.6049792 9.7420073 9.8567617 9.9114595 10.0389075
10.1304613 10.2885300 10.4175435 10.5344556 10.6283887
10.7289977 10.8037345 10.8900192 10.9809276 11.0343099
11.0641488 11.3015039 11.3246813 11.5377365 11.6461305
11.7041727 11.8435399 12.0333379 12.1055964 12.1753013
12.3124383 12.3886865 12.6405457 12.7581453 12.8732056
12.9549327 13.1154142 13.1370702 13.2584252 13.3743974
13.4859976 13.5262833 13.7574946 13.8937773 13.9886572
14.0430610 14.2789431 14.3043606 14.3797282 14.5744696
14.6274647 14.6755686 14.8792821 15.0378353 15.1066308
15.1926211 15.2185288 15.3549967 15.5114452 15.7109750
15.8195023 15.8647024 16.0127150 16.1156979 16.2866544
16.4301819 16.5432362 16.5870019 16.8632034 16.9000542
17.1173797 17.2031933 17.2186008 17.3274353 17.3786234
17.4545183 17.5714435 17.6732733 17.8542931 18.0271166
18.1358223 18.2393268 18.4358133 18.4866780 18.6271183
18.7803926 18.8954503 18.9981888 19.0366421 19.3403550
19.5190202 19.6346895 19.7365456 19.7905915 19.9125399
20.0859112 20.3684128 20.3928294 20.4710294 20.5723994
20.7445384 20.8301723 21.0262593 21.1572177 21.2839442
21.3177220 21.4222667 21.5790495 21.7203453 21.8973314
21.9327968 22.1056319 22.1966807 22.2414168 22.3400703
22.5208957 22.7313255 22.7631029 22.8373521 23.0857201
23.2047493 23.4019817 23.5087697 23.6129698 23.7030621
23.7740092 23.8189791 23.8677868 24.0670605 24.0842063
24.2115566 24.2661422 24.3843127 24.5206075 24.6917086
24.7322136 24.7526399 24.9290537 24.9968097 25.1704819
25.2464840 25.3030675 25.3329911 25.4664931 25.5029165
25.6566270 25.7595701 25.8202793 26.0234369 26.0264105
26.2369384 26.3819962 26.5076815 26.6112875 26.7664900
26.8281628 26.8847929 26.9991042 27.0547950 27.3689277
27.4330608 27.6282913 27.7857462 27.8370777 28.1187685
28.2060760 28.3860350 28.4639063 28.6158800 28.8303497
28.9012920 28.9974647 29.1043691 29.2924884 29.3524634
29.5208238 29.5800137 29.6986523 29.7294715 29.9979433
30.1458739 30.2018833 30.2977158 30.4970663 30.9488602
30.9653547 31.1151582 31.2628031 31.3455949 31.5934987
31.6449362 32.0075883 32.1104792 32.2314177 32.3251865
32.4959342 32.5675805 32.8029367 33.0327975 33.3134065
33.6453623 33.6515300 33.8197415 33.9704392 34.2645538
34.2683907 34.4593593 34.7684199 34.9947960 35.0168598
35.1988188 35.3599153 35.5044082 35.5733405 35.7952599
35.8603827 35.9572938 36.0500521 36.2889280 36.3665306
36.4223598 36.5908402 36.6181895 36.9156731 37.0182799
37.1874350 37.3236038 37.4076349 37.5543241 37.6764857
37.9008765 38.0493117 38.0679290 38.5169777 38.5991533
38.8541368 39.0147266 39.1968548 39.4091422 39.6210504
39.7034535 39.8742333 39.9329944 40.0204446 40.1206413
40.3746963 40.6726599 40.7171836 40.9370870 41.0461881
41.1717547 41.4637457 41.6052877 41.8364277 42.0407941
42.0770206 42.2485268 42.3590500 42.8693825 42.9544798
43.1174768 43.2002413 43.4663758 43.6266681 44.2574710
44.3499616 44.6295825 44.8196269 44.8647507 45.0512757
45.3006013 45.5285832 45.6668158 45.8171321 46.0245981
46.1252069 46.2879230 46.4573174 46.6276735 46.6702609
46.8905374 47.1412947 47.2625860 47.5765660 47.6317712
47.9513768 47.9692746 48.1022615 48.4423611 48.5179057
48.8492657 48.9084463 48.9747275 49.3337049 49.4367011
49.5906120 49.8103385 49.9888180 50.2653982 50.2800170
50.6049204 50.9127958 50.9596402 51.1652029 51.4681132
51.5885873 51.7060749 51.8670880 52.0203923 52.2891621
52.3595233 52.5081970 52.8481472 53.0786998 53.4495912
53.6122605 53.9013861 54.1342254 54.3482229 54.4537305
54.4770464 54.6626527 54.7694556 55.2838465 55.3513681
55.5946068 55.7838643 55.9194037 56.0951492 56.3397798
56.7249773 56.9095332 57.2434657 57.4826154 57.5502223
57.9409522 58.2766770 58.4053281 58.8700814 59.4237592
59.6043177 59.8267962 60.0016784 60.2793496 60.7103956
60.9600383 61.0512571 61.6305835 61.6691274 61.9011291
62.1287473 62.4228041 62.6280584 62.9558668 63.3104080
63.5725827 63.7805656 63.8660758 64.2644562 64.6591040
64.7375184 64.9754238 65.1765395 65.2740895 65.4412466
66.1670987 66.2734116 66.4464411 66.5086719 67.3696262
67.5038472 67.7979500 68.0062134 68.1896783 68.5800751
68.7145762 69.5205039 69.8022052 70.0390973 70.2378554
70.8522426 71.0220767 71.6560322 71.8807825 72.7768697
73.0709754 73.6704800 74.1201598 74.2671309 74.4140635
74.7461878 75.4977849 76.3310774 76.8310997 77.3090509
78.0310689 78.1308486 78.5677950 78.9900806 79.3094309
79.9485365 80.2640854 80.6379715 80.9028541 82.0030038
82.4851958 82.6629700 83.6376994 84.4556594 84.8108743
86.3238651 86.4571243 86.6298281 87.5431292 88.4556511
88.9845919 89.4538887 90.4281165 90.9358421 91.1057794
92.4576046 93.3600388 93.9195715 95.0084004 95.9415390
96.8592029 97.4924552 99.7190225 102.1551371 103.6072445
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034222 0.0034304 0.0034323 0.0034387 0.0034430
0.0034464 3.3198921 25.7830660 28.7421933 34.8783048
36.4586457 39.2302580 42.2645685 44.2341349 46.5298987
52.3100645 53.1204087 55.8682122 59.1000029 65.6909193
67.7022357 72.8444675 75.1636946 78.9545836 81.5293759
82.5195204 87.1105242 91.5167965 96.3538683 101.8936788
103.2333867 105.3845371 106.2747824 107.7229011 109.4954276
112.8957775 114.5724481 117.2808040 121.5663709 127.6302987
128.5923642 132.5329882 133.8266403 139.0039934 141.5472211
144.0626293 147.1239068 148.8307123 150.8943188 152.5993666
157.6782945 161.8984151 162.7612417 165.3641669 168.5480292
169.4857952 172.5211399 174.7446773 177.3468321 181.7565375
182.8840283 184.8936009 190.8746128 192.9814615 194.6072902
201.7353480 203.6692996 205.3685809 208.0490287 211.0584665
214.0324405 215.3047077 216.1366922 218.9997278 220.7638665
222.9341891 223.8503088 228.4499535 229.0581894 230.2219388
234.4406273 236.8986108 238.6468896 240.7401513 242.5548414
244.0285971 246.6004467 247.5766043 250.1901298 251.4102190
254.0065536 255.9600738 257.1802190 258.0946943 260.4118654
263.8885188 266.8704831 267.1667049 270.3196300 272.0035875
274.3842532 277.4737165 278.6052001 281.1069399 281.9354057
282.9798886 283.9990782 287.2384021 288.8467320 291.1991254
295.0433809 297.1329229 297.7044994 301.2214742 302.6225748
305.6295036 308.5151172 310.9102829 311.6819511 313.5217322
315.5402955 316.9812509 318.1227275 321.8474909 323.3485113
324.8355843 327.0608697 329.0148355 331.4277479 332.9014268
336.5452722 338.9374092 340.9277940 341.8724361 344.0634237
345.6287739 348.3148133 350.4918637 352.4530957 354.0209762
355.6926222 356.9293253 358.3518105 359.8444382 360.7180444
361.2054420 365.0592864 365.4334302 368.8549263 370.5835236
371.5058357 373.7111398 376.6936827 377.8229859 378.9091909
381.0371437 382.2151625 386.0807894 387.8725564 389.6176598
390.8524705 393.2658958 393.5904388 395.4041762 397.1297217
398.7831682 399.3783508 402.7772718 404.7673254 406.1470415
406.9360558 410.3394876 410.7045420 411.7850917 414.5640707
415.3170963 415.9994422 418.8767635 421.1026186 422.0647558
423.2642948 423.6250325 425.5201637 427.6824326 430.4243667
431.9084374 432.5250302 434.5380063 435.9330932 438.2391989
440.1659722 441.6777434 442.2615951 445.9285918 446.4155659
449.2767268 450.4014856 450.6031351 452.0249666 452.6921524
453.6795617 455.1965905 456.5136597 458.8456412 461.0610282
462.4490652 463.7668296 466.2581440 466.9009076 468.6710376
470.5953305 472.0346762 473.3162120 473.7949778 477.5595129
479.7602774 481.1797028 482.4261623 483.0862398 484.5723286
486.6772543 490.0877806 490.3814382 491.3207676 492.5357451
494.5920914 495.6118843 497.9391666 499.4874232 500.9810936
501.3784660 502.6063727 504.4422284 506.0910332 508.1487671
508.5601041 510.5599537 511.6103214 512.1256220 513.2601514
515.3331845 517.7351617 518.0969206 518.9412024 521.7554492
523.0987960 525.3171727 526.5143728 527.6799422 528.6856318
529.4762615 529.9767919 530.5195040 532.7295721 532.9193008
534.3264044 534.9283927 536.2292991 537.7258233 539.5986468
540.0410519 540.2640158 542.1858475 542.9221653 544.8049503
545.6268485 546.2379476 546.5608439 547.9991088 548.3908559
550.0409972 551.1433679 551.7924431 553.9589796 553.9906281
556.2267339 557.7622372 559.0892635 560.1808057 561.8119750
562.4588400 563.0521592 564.2479080 564.8295431 568.0991919
568.7644101 570.7846603 572.4088144 572.9373049 575.8288611
576.7221296 578.5589909 579.3520272 580.8965979 583.0693804
583.7863141 584.7568181 585.8337331 587.7239839 588.3253442
590.0101957 590.6013916 591.7845891 592.0915657 594.7589965
596.2236779 596.7772969 597.7233534 599.6865549 604.1122048
604.2731676 605.7330728 607.1685081 607.9719442 610.3713521
610.8680237 614.3583371 615.3449963 616.5027021 617.3988272
619.0272875 619.7093204 621.9445164 624.1197955 626.7650951
629.8800955 629.9378261 631.5102766 632.9156884 635.6496622
635.6852508 637.4540421 640.3062738 642.3873991 642.5898760
644.2572655 645.7298882 647.0478811 647.6757031 649.6927793
650.2835086 651.1615971 652.0009497 654.1575375 654.8566098
655.3590788 656.8730908 657.1185303 659.7823240 660.6986166
662.2064278 663.4177168 664.1641131 665.4650558 666.5465327
668.5284703 669.8363057 670.0001589 673.9402297 674.6587685
676.8834765 678.2808636 679.8621926 681.7007492 683.5310896
684.2415179 685.7115316 686.2165990 686.9675686 687.8269898
690.0013087 692.5427196 692.9216732 694.7903026 695.7155269
696.7788645 699.2452850 700.4377515 702.3807127 704.0941495
704.3974425 705.8315471 706.7541804 710.9988433 711.7041727
713.0532263 713.7372556 715.9323646 717.2512325 722.4180307
723.1725020 725.4486757 726.9916097 727.3574806 728.8679048
730.8819958 732.7188229 733.8303095 735.0370510 736.6993432
737.5041081 738.8038117 740.1544332 741.5102413 741.8487937
743.5974390 745.5830617 746.5416125 749.0172618 749.4516948
751.9618729 752.1021946 753.1440128 755.8018167 756.3909143
758.9694589 759.4290630 759.9434820 762.7235326 763.5193038
764.7069099 766.3991720 767.7710182 769.8920657 770.0040124
772.4878428 774.8341496 775.1905271 776.7524482 779.0483353
779.9595822 780.8472153 782.0620522 783.2169751 785.2376624
785.7657996 786.8805908 789.4237049 791.1437806 793.9030573
795.1102275 797.2513201 798.9714186 800.5490646 801.3257511
801.4972875 802.8614994 803.6454540 807.4105254 807.9034453
809.6766438 811.0536408 812.0383611 813.3134115 815.0849101
817.8665486 819.1959412 821.5958555 823.3102838 823.7943007
826.5860932 828.9773608 829.8918781 833.1872170 837.0961438
838.3669336 839.9301163 841.1568377 843.1009123 846.1099686
847.8477963 848.4819067 852.4981009 852.7646362 854.3671970
855.9365636 857.9597562 859.3691401 861.6152644 864.0379867
865.8251723 867.2403247 867.8214818 870.5238995 873.1927506
873.7220660 875.3260241 876.6796578 877.3354776 878.4581210
883.3164665 884.0258085 885.1790825 885.5934954 891.3070651
892.1945022 894.1359598 895.5082209 896.7153439 899.2785995
900.1600120 905.4234448 907.2560060 908.7942078 910.0827897
914.0544785 915.1493252 919.2246429 920.6650955 926.3859637
928.2559304 932.0560506 934.8963272 935.8227601 936.7480347
938.8361504 943.5444950 948.7373025 951.8396784 954.7956926
959.2439269 959.8570322 962.5372878 965.1205402 967.0695236
970.9582124 972.8724632 975.1357473 976.7360153 983.3546163
986.2415268 987.3037412 993.1076321 997.9520136 1000.0484714
1008.9292640 1009.7077117 1010.7156875 1016.0294902 1021.3111471
1024.3601778 1027.0578178 1032.6354329 1035.5303373 1036.4974646
1044.1589108 1049.2423031 1052.3818065 1058.4644674 1063.6496967
1068.7244022 1072.2122979 1084.3869604 1097.5527081 1105.3258886
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404131342263939023.eigenfacs
Openam> file on opening on unit 10:
2404131342263939023.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404131342263939023.atom
Openam> file on opening on unit 11:
2404131342263939023.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 = 185
First residue number = 96
Last residue number = 290
Number of atoms found = 185
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: 9.9319E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9791E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9903E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0028E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0053E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0073E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 9.3467E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.6374E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 7.0057E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1127
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1515
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1836
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2320
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2393
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2647
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2962
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3887
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4500
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4791
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5286
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5637
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6435
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7102
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8804
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9038
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9418
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9578
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9841
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.017
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.166
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.253
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.381
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.402
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.490
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.519
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.639
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.699
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.760
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.836
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.878
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.931
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.975
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.108
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.223
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.247
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.319
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.409
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.436
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.524
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.801
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.836
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.899
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.090
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.212
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.451
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.518
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.577
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.671
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.778
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.885
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.931
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.962
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.067
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.133
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.215
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.249
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.426
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.449
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.495
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.661
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.759
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.830
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.915
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.989
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.050
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.157
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.198
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.308
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.360
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.556
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.609
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.649
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.751
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.905
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.040
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.053
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.197
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.274
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.385
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.529
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.582
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.701
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.741
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.791
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 555 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 : 0.000935
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= 0.106 for 185 C-alpha atoms.
Bfactors> = 101.704 +/- 676.94
Bfactors> = 25.341 +/- 13.27
Bfactors> Shiftng-fct= -76.363
Bfactors> Scaling-fct= 0.020
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404131342263939023 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=0
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=100
2404131342263939023.eigenfacs
2404131342263939023.atom
making animated gifs
11 models are in 2404131342263939023.7.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 2404131342263939023.7.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 2404131342263939023.7.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 2404131342263939023 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=0
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=100
2404131342263939023.eigenfacs
2404131342263939023.atom
making animated gifs
11 models are in 2404131342263939023.8.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 2404131342263939023.8.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 2404131342263939023.8.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 2404131342263939023 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=0
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=100
2404131342263939023.eigenfacs
2404131342263939023.atom
making animated gifs
11 models are in 2404131342263939023.9.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 2404131342263939023.9.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 2404131342263939023.9.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 2404131342263939023 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=0
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=100
2404131342263939023.eigenfacs
2404131342263939023.atom
making animated gifs
11 models are in 2404131342263939023.10.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 2404131342263939023.10.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 2404131342263939023.10.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 2404131342263939023 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=0
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=100
2404131342263939023.eigenfacs
2404131342263939023.atom
making animated gifs
11 models are in 2404131342263939023.11.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 2404131342263939023.11.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 2404131342263939023.11.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 2404131342263939023 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=0
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=100
2404131342263939023.eigenfacs
2404131342263939023.atom
making animated gifs
11 models are in 2404131342263939023.12.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 2404131342263939023.12.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 2404131342263939023.12.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 2404131342263939023 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=0
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=100
2404131342263939023.eigenfacs
2404131342263939023.atom
making animated gifs
11 models are in 2404131342263939023.13.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 2404131342263939023.13.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 2404131342263939023.13.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 2404131342263939023 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=0
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=100
2404131342263939023.eigenfacs
2404131342263939023.atom
making animated gifs
11 models are in 2404131342263939023.14.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 2404131342263939023.14.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 2404131342263939023.14.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 2404131342263939023 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=0
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=100
2404131342263939023.eigenfacs
2404131342263939023.atom
making animated gifs
11 models are in 2404131342263939023.15.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 2404131342263939023.15.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 2404131342263939023.15.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 2404131342263939023 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=-20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=0
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=20
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=40
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=60
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=80
2404131342263939023.eigenfacs
2404131342263939023.atom
calculating perturbed structure for DQ=100
2404131342263939023.eigenfacs
2404131342263939023.atom
making animated gifs
11 models are in 2404131342263939023.16.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 2404131342263939023.16.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 2404131342263939023.16.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
2404131342263939023.10.pdb
2404131342263939023.11.pdb
2404131342263939023.12.pdb
2404131342263939023.13.pdb
2404131342263939023.14.pdb
2404131342263939023.15.pdb
2404131342263939023.16.pdb
2404131342263939023.7.pdb
2404131342263939023.8.pdb
2404131342263939023.9.pdb
STDERR:
real 0m2.441s
user 0m2.433s
sys 0m0.008s
../../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: 2404131342263939023.Chkmod.res: No such file or directory
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
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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
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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
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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
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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