*** ***
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 = 2402161152172985480.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 2402161152172985480.atom to be opened.
Openam> File opened: 2402161152172985480.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 = 183
First residue number = 96
Last residue number = 288
Number of atoms found = 191
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 33.615000 +/- 9.083641 From: 11.460000 To: 53.033000
= 27.826827 +/- 8.647172 From: 6.241000 To: 48.000000
= 97.849775 +/- 9.283235 From: 77.117000 To: 117.891000
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 5.9890 % Filled.
Pdbmat> 9849 non-zero elements.
Pdbmat> 967 atom-atom interactions.
Pdbmat> Number per atom= 10.13 +/- 3.48
Maximum number = 20
Minimum number = 4
Pdbmat> Matrix trace = 19340.0
Pdbmat> Larger element = 75.9186
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 191 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) = 573
Diagstd> Number of non-zero elements 9849
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 19340.0000006
%Diagstd-Wn: Nb on non-zero elements there: 573
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 573 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 19340.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0376090 0.0639344 0.0679242 0.0773607
0.1090819 0.1269660 0.1619451 0.1787464 0.2067771
0.2445912 0.3021934 0.3434450 0.3556790 0.3853008
0.4165865 0.4329982 0.4843617 0.5080662 0.5926269
0.6031834 0.6888271 0.7402781 0.8125439 0.8229060
0.8735002 0.9014837 0.9353659 0.9524118 0.9922011
1.0695141 1.1438036 1.1848759 1.2196582 1.3252078
1.3519194 1.4396845 1.4972193 1.5024511 1.5187018
1.5855807 1.6676746 1.7619616 1.8257591 1.9584483
2.0417580 2.0444383 2.1044589 2.2461244 2.3339074
2.4399171 2.5073056 2.5508155 2.6213561 2.6420723
2.7268611 2.9679264 3.0154410 3.0812632 3.1812724
3.2963802 3.3677069 3.5001879 3.6235618 3.6498130
3.7281990 3.8211768 3.9121487 3.9676522 4.1306828
4.2281536 4.3378210 4.3892652 4.4646301 4.5193279
4.6178948 4.7412298 4.8824562 4.9934913 5.0659972
5.1122848 5.2325692 5.2542815 5.4456265 5.4912284
5.5125385 5.6748047 5.7457443 5.7958989 5.8989156
5.9731660 6.1162548 6.1975587 6.3494259 6.4617527
6.4891936 6.6405387 6.6464580 6.7978667 6.9176748
7.0477552 7.1291411 7.1645194 7.3222099 7.4954221
7.7305484 7.8114982 7.8968262 7.9398485 8.1076759
8.1845695 8.2553862 8.4894841 8.6529411 8.7783560
8.8374708 8.8680008 8.9494479 9.1543247 9.1606655
9.2587917 9.3771275 9.5794605 9.6298785 9.7052741
9.7790284 9.8443334 10.1056734 10.1369262 10.2204555
10.3110461 10.4240163 10.5255518 10.6444010 10.9355405
10.9422480 10.9611403 11.0931091 11.2741424 11.3152698
11.4197974 11.5721934 11.6260465 11.6991004 11.7959940
11.8884371 12.1492041 12.1784312 12.2206212 12.3685044
12.4446693 12.6410954 12.8113041 12.9156110 13.0249083
13.0835988 13.3009095 13.3866277 13.4669122 13.6694050
13.7551797 13.8992657 14.0033138 14.1335276 14.3382479
14.4477072 14.5886227 14.6861206 14.8692271 15.0193050
15.1336393 15.4259181 15.5093657 15.6355571 15.6793389
15.8173104 15.9382138 16.0444520 16.0618831 16.3513415
16.4425837 16.5854046 16.6835324 16.7839137 16.8493231
16.9449833 17.1492713 17.2133878 17.3596821 17.4218257
17.5037792 17.5715500 17.7077456 17.8118171 17.9907394
18.0849765 18.1757283 18.3751823 18.4474084 18.7449047
18.8698832 18.9588898 19.0923168 19.1017637 19.3491831
19.3833832 19.4880146 19.6363567 19.7680920 19.9347241
20.1498032 20.2463261 20.2962597 20.4129010 20.5510641
20.6616842 20.8756539 21.0045300 21.1513280 21.3019094
21.4411232 21.6204979 21.7121104 21.8997276 21.9646101
22.0733553 22.4016147 22.5180652 22.6722191 22.6948256
22.8326349 22.9011154 23.0929543 23.1363546 23.3191408
23.3800419 23.4921831 23.6096135 23.7289215 23.8232363
23.8930139 23.9006963 24.1032910 24.2063536 24.3436919
24.4217523 24.4689595 24.5520964 24.6257339 24.7372475
24.7709599 24.8703278 25.0147037 25.0947156 25.2645877
25.4316584 25.4543135 25.5163632 25.6229321 25.6492839
25.8980210 25.9838281 26.0031397 26.1609514 26.2022633
26.2879496 26.3312358 26.3989425 26.4396739 26.5230300
26.6215334 26.7282897 26.9303355 27.0066118 27.1310223
27.3343520 27.4040989 27.5920101 27.7692966 27.8376938
27.8719924 27.8878979 27.9945998 28.0027752 28.1462109
28.4757291 28.5702224 28.5799247 28.8435967 28.9446679
29.2100875 29.3152485 29.4490620 29.5752588 29.7183074
29.7841155 29.8996494 30.0191930 30.1795871 30.3193042
30.4946400 30.7339170 30.8989519 30.9282000 31.1039565
31.1760802 31.5104532 31.6053986 31.6697403 31.8294188
31.8401680 32.0452324 32.0613321 32.1564180 32.4207523
32.4828408 32.6533150 32.7454132 32.8575527 33.1924358
33.3870517 33.5582985 33.6191607 33.7449201 33.9985937
34.0563247 34.2742763 34.3284436 34.3870639 34.5703582
34.7974368 35.1571314 35.1703792 35.2255086 35.4223464
35.5175297 35.6707896 35.8220008 35.9482539 36.3393635
36.3596950 36.6626480 36.7548418 36.9660625 37.0582090
37.1426083 37.4641890 37.5583365 37.9132564 38.0409092
38.0996889 38.2670184 38.4067546 38.6195699 38.7988694
38.8403809 39.1622079 39.3002126 39.4455526 39.4829957
39.7420840 40.0635832 40.1673152 40.3006190 40.3863414
40.5549702 40.7595690 40.9317039 41.1187910 41.3546617
41.5321476 41.6657031 41.8076814 41.8907183 42.1963204
42.3153263 42.5907409 42.8002330 42.9689251 43.0075300
43.3929609 43.4635676 43.7155938 43.9715415 44.1492917
44.4191778 44.5531343 44.7368816 44.8964757 45.0500101
45.3228770 45.6656076 45.9319584 46.3275478 46.4011799
46.5660943 46.7197610 46.7806733 46.9336891 47.2422209
47.4333963 47.5270869 48.1896348 48.2417562 48.3854951
48.6371237 48.6514903 48.9037347 49.0223645 49.4079039
49.5853982 49.7130821 49.7689111 50.0622895 50.2864937
50.4173398 50.7994276 50.8055183 50.9805519 51.1553899
51.2966567 51.6080099 51.7484458 51.8855979 52.1431780
52.1552688 52.4574153 52.5946380 52.6699045 52.7061471
52.9454348 53.1174992 53.3019218 53.4524809 53.5742952
53.5842798 53.6560460 53.7955194 53.9488689 54.3511507
54.6039997 54.6236856 54.7673261 55.1948276 55.5264538
55.6229896 55.8958814 56.3197706 56.4734948 56.5529324
56.6875485 56.9495117 57.0546439 57.1604449 57.2135323
57.3242253 57.6162369 57.9495394 58.2392776 58.7463193
58.9781173 59.1444183 59.4087877 59.5938457 59.8102378
60.1272533 60.5609738 60.8882777 61.2117386 61.3284741
61.3790288 61.8486351 61.9710399 62.2041231 62.4116941
62.5963265 62.7206647 62.8423304 63.0598202 63.6192607
63.7933792 64.0964660 64.3245923 64.4925097 64.6676430
64.8901573 64.9682871 65.1309742 65.4747738 65.9493277
66.1443909 66.3219622 67.0195783 67.1739477 67.3817057
67.7841335 68.1987177 68.6984901 68.9656377 69.1101772
69.3614981 69.7365512 70.0124150 70.2254436 70.4953774
70.8385811 71.1807720 71.4690959 71.8571256 72.4251643
72.5489004 72.9028760 73.3520905 73.7379615 73.8224475
74.0026691 74.3562520 74.5563427 75.0045428 75.1575848
75.7331034 76.1172819 77.2187956 77.3113589 77.7585493
78.5918857 78.6979698 79.2778294 80.3376725 80.5029484
80.8402148 81.1739756 81.4810620 82.1795252 82.3468297
83.2809036 83.3332104 83.7097630 84.8574634 85.3851267
85.4824144 86.1854786 86.4876027 87.5084045 87.9726164
88.7385814 89.3500302 89.9769529 90.7220736 92.3338750
92.5520040 92.9713591 93.7169036 93.9923639 94.3902826
95.7392398 96.8888945 99.1635628 100.2708778 100.6134253
101.4003646 102.8599429 104.3058699 107.9579116 110.2679926
111.1825392 113.7339470 121.4141884
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034290 0.0034329 0.0034362 0.0034385 0.0034406
0.0034435 21.0591785 27.4575919 28.3013731 30.2033776
35.8650728 38.6935927 43.6997777 45.9107039 49.3794759
53.7051202 59.6949718 63.6390819 64.7626161 67.4054870
70.0886783 71.4559418 75.5753530 77.4025802 83.5960908
84.3373551 90.1260634 93.4313723 97.8855778 98.5077516
101.4908280 103.1036907 105.0233921 105.9760358 108.1670871
112.3022685 116.1371089 118.2038748 119.9262784 125.0078458
126.2614240 130.2953601 132.8733811 133.1053309 133.8232382
136.7380721 140.2332316 144.1429813 146.7293582 151.9677149
155.1663039 155.2681179 157.5308083 162.7466982 165.8964491
169.6222500 171.9487058 173.4342265 175.8159576 176.5093151
179.3191984 187.0776237 188.5691748 190.6161438 193.6848767
197.1577841 199.2794068 203.1612894 206.7107765 207.4581922
209.6741167 212.2725552 214.7845101 216.3027686 220.7019669
223.2907130 226.1679680 227.5051287 229.4499780 230.8512366
233.3551001 236.4507982 239.9465206 242.6595722 244.4149428
245.5290025 248.4006743 248.9155033 253.4073488 254.4661579
254.9594414 258.6846975 260.2965588 261.4301556 263.7432607
265.3979549 268.5579829 270.3370706 273.6292427 276.0390006
276.6245036 279.8317157 279.9564075 283.1272055 285.6112770
288.2840965 289.9438389 290.6623710 293.8436899 297.2989176
301.9259439 303.5026238 305.1557588 305.9858813 309.2028378
310.6656244 312.0067411 316.3996038 319.4310685 321.7376415
322.8191397 323.3762656 324.8578769 328.5552697 328.6690370
330.4246493 332.5295091 336.0979056 336.9812084 338.2978074
339.5808056 340.7127910 345.2056622 345.7390405 347.1605806
348.6957428 350.6007334 352.3041164 354.2875523 359.1000018
359.2101147 359.5200781 361.6778579 364.6171051 365.2815495
366.9648616 369.4052997 370.2638467 371.4253269 372.9602537
374.4188131 378.5028845 378.9578904 379.6137391 381.9037071
383.0777792 386.0891831 388.6797818 390.2588487 391.9066366
392.7886138 396.0371712 397.3112598 398.5008890 401.4857048
402.7433842 404.8472638 406.3597555 408.2447102 411.1907369
412.7572846 414.7653107 416.1489707 418.7352071 420.8430887
422.4418823 426.5017243 427.6537631 429.3900340 429.9907903
431.8785149 433.5259551 434.9684172 435.2046337 439.1086327
440.3320642 442.2402993 443.5466308 444.8789934 445.7450297
447.0085731 449.6950589 450.5349190 452.4453870 453.2544879
454.3193066 455.1979703 456.9586657 458.2995110 460.5956017
461.8003472 462.9575715 465.4908075 466.4047467 470.1504959
471.7152168 472.8264150 474.4873042 474.6046775 477.6684938
478.0904529 479.3790806 481.2001301 482.8115571 484.8421802
487.4506847 488.6167986 489.2189665 490.6227075 492.2802775
493.6033973 496.1526608 497.6818059 499.4178951 501.1924804
502.8275292 504.9264556 505.9950860 508.1765686 508.9288011
510.1870807 513.9666528 515.3008001 517.0616116 517.3193287
518.8876043 519.6651554 521.8371912 522.3273249 524.3865605
525.0708676 526.3285988 527.6424392 528.9739437 530.0241519
530.7997968 530.8851251 533.1304065 534.2689887 535.7824726
536.6408039 537.1592157 538.0709807 538.8772776 540.0960077
540.4639098 541.5468516 543.1164557 543.9843676 545.8224417
547.6241868 547.8680505 548.5354095 549.6796933 549.9622780
552.6225084 553.5372449 553.7429055 555.4206816 555.8590539
556.7671926 557.2253958 557.9413453 558.3716078 559.2511022
560.2886353 561.4109320 563.5288595 564.3263531 565.6246908
567.7402325 568.4641006 570.4097634 572.2393513 572.9436460
573.2964961 573.4600520 574.5560632 574.6399525 576.1097811
579.4723344 580.4329928 580.5315409 583.2033200 584.2242316
586.8967565 587.9522686 589.2926353 590.5539211 591.9803837
592.6354602 593.7837775 594.9696151 596.5569743 597.9362664
599.6626994 602.0107374 603.6249106 603.9105304 605.6240289
606.3257812 609.5686247 610.4862917 611.1073840 612.6460454
612.7494856 614.7195044 614.8739038 615.7850107 618.3107885
618.9025639 620.5244802 621.3989535 622.4620617 625.6260763
627.4575006 629.0646000 629.6347855 630.8113263 633.1779134
633.7152661 635.7398380 636.2420037 636.7850052 638.4798856
640.5734105 643.8756425 643.9969428 644.5014765 646.2996833
647.1674362 648.5622129 649.9354117 651.0797390 654.6119642
654.7950625 657.5173161 658.3435105 660.2324666 661.0548466
661.8071872 664.6659760 665.5006046 668.6376448 669.7623407
670.2795896 671.7498730 672.9752390 674.8371717 676.4018950
676.7636440 679.5616541 680.7579633 682.0155905 682.3392104
684.5743120 687.3377151 688.2269621 689.3680297 690.1008084
691.5400285 693.2822352 694.7446193 696.3305492 698.3248818
699.8218126 700.9461225 702.1393644 702.8363005 705.3953152
706.3893243 708.6844078 710.4251818 711.8238339 712.1435263
715.3275021 715.9092371 717.9818586 720.0806249 721.5345809
723.7366036 724.8270816 726.3202193 727.6146011 728.8576670
731.0616720 733.8206021 735.9575444 739.1199707 739.7071088
741.0204392 742.2421047 742.7258074 743.9395136 746.3807560
747.8894232 748.6276753 753.8277103 754.2352661 755.3580728
757.3196443 757.4314856 759.3924830 760.3129851 763.2968938
764.6667089 765.6505957 766.0803975 768.3350296 770.0536039
771.0547980 773.9710022 774.0173997 775.3495630 776.6779573
777.7496253 780.1063919 781.1670849 782.2015874 784.1407591
784.2316656 786.4999956 787.5280209 788.0913225 788.3624221
790.1499917 791.4328823 792.8056094 793.9245176 794.8286506
794.9027134 795.4348469 796.4680022 797.6023998 800.5706273
802.4306483 802.5752819 803.6298302 806.7602107 809.1802040
809.8833005 811.8675525 814.9401577 816.0515845 816.6253267
817.5966780 819.4836301 820.2396894 820.9998550 821.3810161
822.1752090 824.2666438 826.6473436 828.7113177 832.3109549
833.9513821 835.1263033 836.9906865 838.2932832 839.8138739
842.0365878 845.0680945 847.3486172 849.5963493 850.4060863
850.7565205 854.0048560 854.8495200 856.4556259 857.8834029
859.1514033 860.0042677 860.8379825 862.3263251 866.1429790
867.3274350 869.3853603 870.9311051 872.0671332 873.2504065
874.7514959 875.2779514 876.3731584 878.6831206 881.8616700
883.1648808 884.3495589 888.9884648 890.0117006 891.3869680
894.0448472 896.7747770 900.0546422 901.8029639 902.7474771
904.3874195 906.8292358 908.6210827 910.0023750 911.7496391
913.9663517 916.1711826 918.0248225 920.5135817 924.1448016
924.9339008 927.1875918 930.0397873 932.4828301 933.0168780
934.1550637 936.3840889 937.6431350 940.4572622 941.4162447
945.0138142 947.4077128 954.2381867 954.8099446 957.5674063
962.6848447 963.3343463 966.8768359 973.3183318 974.3190040
976.3578213 978.3712641 980.2201380 984.4124421 985.4139867
990.9870851 991.2982439 993.5353786 1000.3231117 1003.4284119
1003.9999019 1008.1202280 1009.8856707 1015.8279616 1018.5187647
1022.9432031 1026.4614227 1030.0562014 1034.3124784 1043.4600140
1044.6918190 1047.0559041 1051.2457326 1052.7895524 1055.0157020
1062.5277164 1068.8881948 1081.3625906 1087.3833746 1089.2391626
1093.4905609 1101.3324096 1109.0462428 1128.2946207 1140.3023374
1145.0213232 1158.0847315 1196.5476572
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402161152172985480.eigenfacs
Openam> file on opening on unit 10:
2402161152172985480.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402161152172985480.atom
Openam> file on opening on unit 11:
2402161152172985480.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 = 183
First residue number = 96
Last residue number = 288
Number of atoms found = 191
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: 9.9713E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9941E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0013E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0026E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0038E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0056E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.7609E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 6.3934E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.7924E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.7361E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1091
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1270
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1619
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1787
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2446
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3022
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3434
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3557
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3853
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4166
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4330
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4844
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5926
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7403
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8125
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8229
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8735
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9015
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9354
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9524
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9922
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.185
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.220
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.325
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.352
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.440
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.497
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.519
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.586
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.668
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.762
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.826
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.044
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.104
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.246
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.334
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.440
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.507
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.551
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.621
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.642
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.727
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.015
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.181
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.296
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.500
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.624
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.650
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.728
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.821
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.912
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.131
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.228
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.338
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.465
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.519
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.618
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.741
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.882
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.993
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 5.066
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.112
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.233
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.254
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.446
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.491
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.513
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.675
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.746
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.796
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.899
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.973
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.116
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.198
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.349
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.489
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.641
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.646
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.798
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.918
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 7.048
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 573 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 : 0.037609
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= 0.325 for 191 C-alpha atoms.
Bfactors> = 13.563 +/- 26.15
Bfactors> = 21.631 +/- 11.73
Bfactors> Shiftng-fct= 8.068
Bfactors> Scaling-fct= 0.449
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402161152172985480 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=0
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=100
2402161152172985480.eigenfacs
2402161152172985480.atom
making animated gifs
11 models are in 2402161152172985480.7.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 2402161152172985480.7.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 2402161152172985480.7.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 2402161152172985480 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=0
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=100
2402161152172985480.eigenfacs
2402161152172985480.atom
making animated gifs
11 models are in 2402161152172985480.8.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 2402161152172985480.8.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 2402161152172985480.8.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 2402161152172985480 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=0
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=100
2402161152172985480.eigenfacs
2402161152172985480.atom
making animated gifs
11 models are in 2402161152172985480.9.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 2402161152172985480.9.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 2402161152172985480.9.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 2402161152172985480 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=0
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=100
2402161152172985480.eigenfacs
2402161152172985480.atom
making animated gifs
11 models are in 2402161152172985480.10.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 2402161152172985480.10.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 2402161152172985480.10.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 2402161152172985480 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=0
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=100
2402161152172985480.eigenfacs
2402161152172985480.atom
making animated gifs
11 models are in 2402161152172985480.11.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 2402161152172985480.11.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 2402161152172985480.11.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 2402161152172985480 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=0
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=100
2402161152172985480.eigenfacs
2402161152172985480.atom
making animated gifs
11 models are in 2402161152172985480.12.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 2402161152172985480.12.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 2402161152172985480.12.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 2402161152172985480 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=0
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=100
2402161152172985480.eigenfacs
2402161152172985480.atom
making animated gifs
11 models are in 2402161152172985480.13.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 2402161152172985480.13.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 2402161152172985480.13.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 2402161152172985480 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=0
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=100
2402161152172985480.eigenfacs
2402161152172985480.atom
making animated gifs
11 models are in 2402161152172985480.14.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 2402161152172985480.14.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 2402161152172985480.14.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 2402161152172985480 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=0
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=100
2402161152172985480.eigenfacs
2402161152172985480.atom
making animated gifs
11 models are in 2402161152172985480.15.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 2402161152172985480.15.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 2402161152172985480.15.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 2402161152172985480 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=-20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=0
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=20
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=40
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=60
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=80
2402161152172985480.eigenfacs
2402161152172985480.atom
calculating perturbed structure for DQ=100
2402161152172985480.eigenfacs
2402161152172985480.atom
making animated gifs
11 models are in 2402161152172985480.16.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 2402161152172985480.16.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 2402161152172985480.16.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
2402161152172985480.10.pdb
2402161152172985480.11.pdb
2402161152172985480.12.pdb
2402161152172985480.13.pdb
2402161152172985480.14.pdb
2402161152172985480.15.pdb
2402161152172985480.16.pdb
2402161152172985480.7.pdb
2402161152172985480.8.pdb
2402161152172985480.9.pdb
STDERR:
real 0m2.756s
user 0m2.740s
sys 0m0.016s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2402161152172985480.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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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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