*** ***
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 = 2402161404063014200.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 2402161404063014200.atom to be opened.
Openam> File opened: 2402161404063014200.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:
= 33.614864 +/- 9.083740 From: 11.460000 To: 53.033000
= 27.826749 +/- 8.647031 From: 6.241000 To: 48.000000
= 97.849780 +/- 9.283232 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 0.0376071 0.0639313 0.0679168 0.0773598
0.1090811 0.1269663 0.1619628 0.1787480 0.2067660
0.2446001 0.3022055 0.3434647 0.3556629 0.3852470
0.4166024 0.4330415 0.4834865 0.5076116 0.5925561
0.6031618 0.6888057 0.7404117 0.8125046 0.8226317
0.8733637 0.9009769 0.9350025 0.9522320 0.9913979
1.0676225 1.1438670 1.1839785 1.2190203 1.3252462
1.3523407 1.4395696 1.4970725 1.5012507 1.5187367
1.5856815 1.6649460 1.7615178 1.8256583 1.9582455
2.0419118 2.0443320 2.1044154 2.2441123 2.3348849
2.4394251 2.5070378 2.5518243 2.6212775 2.6420657
2.7269377 2.9674637 3.0159491 3.0806166 3.1814099
3.2970045 3.3666115 3.4998100 3.6235490 3.6493502
3.7283838 3.8211806 3.9121370 3.9676355 4.1305578
4.2283318 4.3376811 4.3889709 4.4645526 4.5192991
4.6174433 4.7419824 4.8828584 4.9934813 5.0656436
5.1123233 5.2314620 5.2541834 5.4455383 5.4908075
5.5115283 5.6740955 5.7441110 5.7949452 5.8979473
5.9710741 6.1147976 6.1967447 6.3487677 6.4617548
6.4876513 6.6404769 6.6452227 6.7977164 6.9174501
7.0476868 7.1263699 7.1644355 7.3214426 7.4952251
7.7299631 7.8113766 7.8968053 7.9395893 8.1063101
8.1843190 8.2552615 8.4893472 8.6528071 8.7772509
8.8376290 8.8673583 8.9488888 9.1545676 9.1558409
9.2578423 9.3769121 9.5787283 9.6300492 9.7041445
9.7776996 9.8442841 10.1047204 10.1351921 10.2209458
10.3096990 10.4235676 10.5253979 10.6448394 10.9347491
10.9415991 10.9608500 11.0931952 11.2746217 11.3145815
11.4197812 11.5721047 11.6259705 11.6991313 11.7938287
11.8882676 12.1510254 12.1805006 12.2216850 12.3684097
12.4438313 12.6407517 12.8095790 12.9152867 13.0258067
13.0842881 13.3027669 13.3865235 13.4735070 13.6687271
13.7541935 13.8987649 14.0057108 14.1310977 14.3384716
14.4490451 14.5886699 14.6889559 14.8697471 15.0191945
15.1347731 15.4267044 15.5093498 15.6358294 15.6817937
15.8229438 15.9405623 16.0441668 16.0629994 16.3510486
16.4427323 16.5858155 16.6835599 16.7847575 16.8490335
16.9460924 17.1510646 17.2123740 17.3600045 17.4219103
17.5049269 17.5717145 17.7083073 17.8122620 17.9918623
18.0824416 18.1762274 18.3755319 18.4463966 18.7458527
18.8696127 18.9615394 19.0924279 19.1017762 19.3482223
19.3828778 19.4879320 19.6368482 19.7679549 19.9352687
20.1504285 20.2447880 20.2959342 20.4111849 20.5544730
20.6675855 20.8838458 21.0059151 21.1509970 21.3026136
21.4424614 21.6213212 21.7114178 21.9004351 21.9662997
22.0767943 22.4022727 22.5190858 22.6724878 22.6954381
22.8331223 22.9032996 23.0937728 23.1370253 23.3191491
23.3814955 23.4926701 23.6105493 23.7293977 23.8238848
23.8930410 23.9006257 24.1035102 24.2092075 24.3396134
24.4223386 24.4693166 24.5517070 24.6249557 24.7391924
24.7697599 24.8671774 25.0142712 25.0943671 25.2649972
25.4301512 25.4503662 25.5118420 25.6224350 25.6459400
25.8961571 25.9848206 26.0039456 26.1610081 26.2023425
26.2889375 26.3314444 26.3983107 26.4398527 26.5246594
26.6219647 26.7282536 26.9308731 27.0105047 27.1320108
27.3355028 27.4041318 27.5938313 27.7709522 27.8376871
27.8734012 27.8905905 27.9948587 28.0037381 28.1459671
28.4772396 28.5657365 28.5798547 28.8438012 28.9448197
29.2108093 29.3155254 29.4483208 29.5761142 29.7205438
29.7848978 29.9006117 30.0161386 30.1790376 30.3194418
30.4948862 30.7353096 30.9006803 30.9286211 31.1034732
31.1721096 31.5119606 31.6055943 31.6702146 31.8236216
31.8335019 32.0452513 32.0622158 32.1568452 32.4243939
32.4838638 32.6570741 32.7437593 32.8573715 33.1926832
33.3871905 33.5674426 33.6210311 33.7447398 33.9982342
34.0595800 34.2755663 34.3285987 34.3893345 34.5704870
34.7968987 35.1572108 35.1705443 35.2262325 35.4218047
35.5170351 35.6700146 35.8214688 35.9480686 36.3394473
36.3595876 36.6650831 36.7557968 36.9650979 37.0582994
37.1438108 37.4659745 37.5608013 37.9144584 38.0418165
38.1020918 38.2687367 38.4067744 38.6308268 38.7996434
38.8417005 39.1628917 39.3027856 39.4454913 39.4832011
39.7410955 40.0668764 40.1676458 40.3006057 40.3863866
40.5555083 40.7591434 40.9314829 41.1195451 41.3558109
41.5338228 41.6644845 41.8056347 41.8895819 42.1949013
42.3168807 42.5902742 42.8000594 42.9681513 43.0068006
43.3930870 43.4623018 43.7157596 43.9708471 44.1483296
44.4152482 44.5532122 44.7369057 44.8996995 45.0483294
45.3222464 45.6655990 45.9291859 46.3269453 46.4007783
46.5658869 46.7180004 46.7793629 46.9332704 47.2464469
47.4362360 47.5286796 48.1899272 48.2411368 48.3816994
48.6371023 48.6540057 48.9083541 49.0207229 49.4076525
49.5816416 49.7119633 49.7696383 50.0619752 50.2840938
50.4159513 50.7992969 50.8045825 50.9806971 51.1553642
51.2955103 51.6076006 51.7473696 51.8849636 52.1423567
52.1549471 52.4570665 52.5940922 52.6696455 52.7054680
52.9442669 53.1174112 53.3018145 53.4524996 53.5742814
53.5840393 53.6561616 53.7954422 53.9488737 54.3505733
54.6026683 54.6229039 54.7648937 55.1930192 55.5187555
55.6225654 55.8954629 56.3191087 56.4734949 56.5530714
56.6875829 56.9504830 57.0540946 57.1604124 57.2128803
57.3240377 57.6159273 57.9488065 58.2393638 58.7462462
58.9783088 59.1445340 59.4089278 59.5941272 59.8099236
60.1238810 60.5596657 60.8878555 61.2056979 61.3281033
61.3791002 61.8491695 61.9701249 62.2027728 62.4134928
62.5972826 62.7192403 62.8413548 63.0603521 63.6193387
63.7901539 64.0967510 64.3224891 64.4912430 64.6647259
64.8898879 64.9688042 65.1322286 65.4747598 65.9492612
66.1440978 66.3226416 67.0193008 67.1750657 67.3831124
67.7831447 68.1992166 68.6999702 68.9660008 69.1101141
69.3597124 69.7371480 70.0124320 70.2254445 70.4957115
70.8391568 71.1807571 71.4687836 71.8549378 72.4269338
72.5489973 72.9036450 73.3524424 73.7379467 73.8216740
74.0026604 74.3596434 74.5570095 75.0048505 75.1569309
75.7318192 76.1161466 77.2193434 77.3107769 77.7580109
78.5919971 78.6935003 79.2761097 80.3372465 80.5034817
80.8390714 81.1741994 81.4810616 82.1789073 82.3453504
83.2801338 83.3344146 83.7138342 84.8580490 85.3853544
85.4827697 86.1865469 86.4926864 87.5086796 87.9774453
88.7320019 89.3473868 89.9771256 90.7182037 92.3335703
92.5510790 92.9717147 93.7169461 93.9918283 94.3911285
95.7395115 96.8887873 99.1643092 100.2710073 100.6122646
101.3999703 102.8600273 104.3094339 107.9581360 110.2679983
111.1824569 113.7331640 121.4141211
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034289 0.0034320 0.0034356 0.0034394 0.0034408
0.0034433 21.0586338 27.4569369 28.2998424 30.2032086
35.8649308 38.6936269 43.7021602 45.9109067 49.3781506
53.7060952 59.6961649 63.6409077 64.7611539 67.4007780
70.0900200 71.4595088 75.5070421 77.3679420 83.5910984
84.3358467 90.1246619 93.4398007 97.8832104 98.4913297
101.4828980 103.0747054 105.0029921 105.9660331 108.1232974
112.2029150 116.1403273 118.1591041 119.8949086 125.0096548
126.2810950 130.2901603 132.8668656 133.0521473 133.8247757
136.7424177 140.1184594 144.1248249 146.7253059 151.9598475
155.1721455 155.2640813 157.5291802 162.6737861 165.9311854
169.6051463 171.9395235 173.4685164 175.8133229 176.5090930
179.3217182 187.0630411 188.5850587 190.5961427 193.6890601
197.1764533 199.2469949 203.1503220 206.7104095 207.4450373
209.6793141 212.2726597 214.7841886 216.3023134 220.6986272
223.2954175 226.1643191 227.4975020 229.4479872 230.8505017
233.3436916 236.4695634 239.9564042 242.6593290 244.4064122
245.5299270 248.3743929 248.9131800 253.4052976 254.4564061
254.9360779 258.6685341 260.2595598 261.4086446 263.7216142
265.3514781 268.5259875 270.3193181 273.6150610 276.0390450
276.5916277 279.8304142 279.9303911 283.1240754 285.6066385
288.2826987 289.8874806 290.6606696 293.8282919 297.2950113
301.9145129 303.5002616 305.1553555 305.9808862 309.1767922
310.6608695 312.0043850 316.3970516 319.4285958 321.7173906
322.8220299 323.3645504 324.8477297 328.5596277 328.5824761
330.4077066 332.5256899 336.0850599 336.9841965 338.2781195
339.5577322 340.7119372 345.1893833 345.7094663 347.1689069
348.6729639 350.5931881 352.3015399 354.2948480 359.0870071
359.1994636 359.5153169 361.6792618 364.6248557 365.2704403
366.9646005 369.4038848 370.2626355 371.4258170 372.9260211
374.4161437 378.5312549 378.9900858 379.6302600 381.9022449
383.0648812 386.0839353 388.6536127 390.2539483 391.9201521
392.7989598 396.0648226 397.3097137 398.5984509 401.4757493
402.7289453 404.8399707 406.3945329 408.2096154 411.1939449
412.7763951 414.7659823 416.1891407 418.7425293 420.8415402
422.4577068 426.5125942 427.6535450 429.3937734 430.0244492
431.9554152 433.5578950 434.9645515 435.2197573 439.1046988
440.3340538 442.2457774 443.5469971 444.8901761 445.7411988
447.0232019 449.7185710 450.5216509 452.4495885 453.2555884
454.3342014 455.2001008 456.9659126 458.3052347 460.6099757
461.7679810 462.9639279 465.4952354 466.3919554 470.1623847
471.7118364 472.8594542 474.4886849 474.6048325 477.6566353
478.0842193 479.3780647 481.2061529 482.8098821 484.8488025
487.4582478 488.5982389 489.2150437 490.6020838 492.3211043
493.6738826 496.2499990 497.6982155 499.4139877 501.2007648
502.8432199 504.9360688 505.9870154 508.1847781 508.9483753
510.2268226 513.9742008 515.3124769 517.0646758 517.3263088
518.8931430 519.6899373 521.8464396 522.3348963 524.3866535
525.0871901 526.3340544 527.6528955 528.9792512 530.0313655
530.8000977 530.8843407 533.1328302 534.3004826 535.7375886
536.6472455 537.1631356 538.0667144 538.8687630 540.1172396
540.4508179 541.5125505 543.1117609 543.9805903 545.8268649
547.6079593 547.8255681 548.4868103 549.6743606 549.9264279
552.6026216 553.5478160 553.7514857 555.4212839 555.8598939
556.7776547 557.2276027 557.9346691 558.3734966 559.2682798
560.2931743 561.4105530 563.5344845 564.3670236 565.6349955
567.7521838 568.4644418 570.4285877 572.2564097 572.9435766
573.3109853 573.4877358 574.5587200 574.6498321 576.1072869
579.4877036 580.3874235 580.5308299 583.2053872 584.2257634
586.9040075 587.9550448 589.2852195 590.5624609 592.0026573
592.6432430 593.7933330 594.9393452 596.5515431 597.9376238
599.6651199 602.0243762 603.6417931 603.9146416 605.6193240
606.2871696 609.5832049 610.4881816 611.1119600 612.5902512
612.6853398 614.7196856 614.8823781 615.7891010 618.3455129
618.9123103 620.5601970 621.3832610 622.4603457 625.6284084
627.4588051 629.1502992 629.6523003 630.8096410 633.1745652
633.7455521 635.7518015 636.2434412 636.8060281 638.4810751
640.5684575 643.8763693 643.9984546 644.5080982 646.2947413
647.1629300 648.5551670 649.9305854 651.0780609 654.6127183
654.7940954 657.5391514 658.3520640 660.2238525 661.0556529
661.8179006 664.6818147 665.5224417 668.6482444 669.7703275
670.3007257 671.7649545 672.9754125 674.9355158 676.4086413
676.7751409 679.5675868 680.7802478 682.0150605 682.3409851
684.5657983 687.3659639 688.2297939 689.3679165 690.1011951
691.5446166 693.2786156 694.7427441 696.3369337 698.3345845
699.8359257 700.9358718 702.1221770 702.8267674 705.3834535
706.4022990 708.6805249 710.4237404 711.8174237 712.1374871
715.3285418 715.8988121 717.9832208 720.0749394 721.5267189
723.7045897 724.8277146 726.3204153 727.6407245 728.8440710
731.0565864 733.8205330 735.9353328 739.1151643 739.7039078
741.0187890 742.2281192 742.7154046 743.9361954 746.4141387
747.9118096 748.6402192 753.8299975 754.2304241 755.3284439
757.3194774 757.4510658 759.4283472 760.3002550 763.2949521
764.6377428 765.6419805 766.0859940 768.3326181 770.0352287
771.0441802 773.9700063 774.0102710 775.3506674 776.6777621
777.7409348 780.1032981 781.1589623 782.1968068 784.1345836
784.2292474 786.4973805 787.5239345 788.0893850 788.3573431
790.1412771 791.4322269 792.8048115 793.9246567 794.8285486
794.9009289 795.4357038 796.4674303 797.6024358 800.5663746
802.4208660 802.5695394 803.6119842 806.7469948 809.1241084
809.8802120 811.8645132 814.9353689 816.0515857 816.6263297
817.5969260 819.4906181 820.2357406 820.9996219 821.3763358
822.1738637 824.2644288 826.6421162 828.7119309 832.3104370
833.9527357 835.1271204 836.9916736 838.2952628 839.8116679
842.0129743 845.0589679 847.3456793 849.5544273 850.4035156
850.7570154 854.0085459 854.8432089 856.4463299 857.8957652
859.1579649 859.9945023 860.8313004 862.3299619 866.1435100
867.3055097 869.3872933 870.9168663 872.0585695 873.2307099
874.7496799 875.2814351 876.3815971 878.6830267 881.8612256
883.1629246 884.3540890 888.9866244 890.0191071 891.3962727
894.0383264 896.7780575 900.0643378 901.8053384 902.7470651
904.3757780 906.8331158 908.6211926 910.0023810 911.7517998
913.9700654 916.1710863 918.0228170 920.4995684 924.1560908
924.9345183 927.1924819 930.0420182 932.4827369 933.0119899
934.1550087 936.4054432 937.6473282 940.4591914 941.4121494
945.0058021 947.4006477 954.2415715 954.8063510 957.5640911
962.6855270 963.3069903 966.8663489 973.3157509 974.3222312
976.3509166 978.3726130 980.2201361 984.4087413 985.4051355
990.9825050 991.3054063 993.5595386 1000.3265637 1003.4297497
1004.0019881 1008.1264762 1009.9153501 1015.8295582 1018.5467177
1022.9052797 1026.4462390 1030.0571897 1034.2904182 1043.4582926
1044.6865981 1047.0579065 1051.2459707 1052.7865527 1055.0204296
1062.5292241 1068.8876035 1081.3666601 1087.3840772 1089.2328794
1093.4884350 1101.3328614 1109.0651902 1128.2957932 1140.3023669
1145.0208994 1158.0807452 1196.5473257
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402161404063014200.eigenfacs
Openam> file on opening on unit 10:
2402161404063014200.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402161404063014200.atom
Openam> file on opening on unit 11:
2402161404063014200.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: 9.9704E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9887E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0032E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0040E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0055E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.7607E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 6.3931E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.7917E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.7360E-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: 0.1620
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: 0.3435
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: 0.3852
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: 0.4835
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5076
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: 0.7404
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: 0.8226
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8734
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9350
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9522
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9914
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.068
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: 1.184
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.219
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: 1.501
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: 1.665
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: 2.244
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.335
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.439
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: 2.552
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: 2.967
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.016
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: 3.297
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.367
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: 3.649
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: 4.617
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.742
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.883
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: 5.231
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: 5.512
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.674
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.744
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.898
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.971
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.115
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.197
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: 6.488
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.640
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.645
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: 6.917
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 : 0.037607
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= 0.320 for 191 C-alpha atoms.
Bfactors> = 13.564 +/- 26.15
Bfactors> = 21.846 +/- 11.71
Bfactors> Shiftng-fct= 8.282
Bfactors> Scaling-fct= 0.448
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402161404063014200 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=0
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=100
2402161404063014200.eigenfacs
2402161404063014200.atom
making animated gifs
11 models are in 2402161404063014200.7.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 2402161404063014200.7.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 2402161404063014200.7.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 2402161404063014200 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=0
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=100
2402161404063014200.eigenfacs
2402161404063014200.atom
making animated gifs
11 models are in 2402161404063014200.8.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 2402161404063014200.8.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 2402161404063014200.8.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 2402161404063014200 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=0
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=100
2402161404063014200.eigenfacs
2402161404063014200.atom
making animated gifs
11 models are in 2402161404063014200.9.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 2402161404063014200.9.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 2402161404063014200.9.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 2402161404063014200 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=0
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=100
2402161404063014200.eigenfacs
2402161404063014200.atom
making animated gifs
11 models are in 2402161404063014200.10.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 2402161404063014200.10.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 2402161404063014200.10.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 2402161404063014200 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=0
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=100
2402161404063014200.eigenfacs
2402161404063014200.atom
making animated gifs
11 models are in 2402161404063014200.11.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 2402161404063014200.11.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 2402161404063014200.11.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 2402161404063014200 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=0
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=100
2402161404063014200.eigenfacs
2402161404063014200.atom
making animated gifs
11 models are in 2402161404063014200.12.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 2402161404063014200.12.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 2402161404063014200.12.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 2402161404063014200 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=0
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=100
2402161404063014200.eigenfacs
2402161404063014200.atom
making animated gifs
11 models are in 2402161404063014200.13.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 2402161404063014200.13.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 2402161404063014200.13.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 2402161404063014200 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=0
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=100
2402161404063014200.eigenfacs
2402161404063014200.atom
making animated gifs
11 models are in 2402161404063014200.14.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 2402161404063014200.14.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 2402161404063014200.14.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 2402161404063014200 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=0
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=100
2402161404063014200.eigenfacs
2402161404063014200.atom
making animated gifs
11 models are in 2402161404063014200.15.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 2402161404063014200.15.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 2402161404063014200.15.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 2402161404063014200 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=-20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=0
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=20
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=40
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=60
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=80
2402161404063014200.eigenfacs
2402161404063014200.atom
calculating perturbed structure for DQ=100
2402161404063014200.eigenfacs
2402161404063014200.atom
making animated gifs
11 models are in 2402161404063014200.16.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 2402161404063014200.16.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 2402161404063014200.16.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
2402161404063014200.10.pdb
2402161404063014200.11.pdb
2402161404063014200.12.pdb
2402161404063014200.13.pdb
2402161404063014200.14.pdb
2402161404063014200.15.pdb
2402161404063014200.16.pdb
2402161404063014200.7.pdb
2402161404063014200.8.pdb
2402161404063014200.9.pdb
STDERR:
real 0m2.743s
user 0m2.738s
sys 0m0.004s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2402161404063014200.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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