*** ***
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 = 2402172201553200632.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 2402172201553200632.atom to be opened.
Openam> File opened: 2402172201553200632.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 = 179
First residue number = 97
Last residue number = 288
Number of atoms found = 201
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 3.374726 +/- 7.110814 From: -12.383000 To: 20.296000
= 15.443761 +/- 10.184302 From: -5.060000 To: 37.108000
= -12.123920 +/- 9.280278 From: -32.704000 To: 7.847000
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 6.3134 % Filled.
Pdbmat> 11497 non-zero elements.
Pdbmat> 1146 atom-atom interactions.
Pdbmat> Number per atom= 11.40 +/- 4.14
Maximum number = 23
Minimum number = 3
Pdbmat> Matrix trace = 22920.0
Pdbmat> Larger element = 82.4733
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 201 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 603
Diagstd> Number of non-zero elements 11497
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 22920.0000006
%Diagstd-Wn: Nb on non-zero elements there: 603
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 603 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 22920.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0620071 0.0769648 0.1243479 0.1352711
0.1822286 0.2013752 0.2559785 0.2865303 0.3162858
0.3363287 0.4239066 0.4477374 0.4814955 0.5274960
0.6246860 0.6750515 0.7055125 0.7482801 0.8390196
0.8727353 0.9270979 0.9909559 1.0122667 1.0593921
1.0874482 1.1105466 1.2127105 1.3217069 1.3739270
1.4411685 1.4769371 1.5231274 1.6198503 1.6549976
1.7697171 1.8864567 2.0007543 2.0604295 2.1646554
2.2054053 2.2465739 2.2846891 2.4212905 2.4614372
2.6656124 2.7354223 2.7853478 2.8526326 2.9510825
3.1248372 3.1933927 3.2312044 3.3530524 3.5415683
3.6176251 3.6631846 3.7891437 3.9196751 3.9740202
4.0937217 4.1193210 4.1383228 4.2963655 4.3170613
4.3919146 4.4190979 4.5870863 4.6891920 4.7576153
4.8705327 4.9628557 5.1365401 5.2086580 5.4182230
5.4218788 5.5506787 5.6084920 5.7117225 5.7459205
5.9274991 5.9693141 5.9952636 6.2626905 6.2770959
6.4116820 6.4859148 6.6476203 6.7001885 6.8393871
6.9978807 7.1278274 7.1512218 7.2891459 7.3475154
7.4654281 7.5660863 7.6289218 7.7229823 7.9492663
8.1594789 8.3732167 8.5139244 8.6963745 8.7510601
8.8602063 8.9602490 9.0638348 9.1422510 9.2183387
9.5251809 9.5795747 9.6772343 9.8680435 10.0369628
10.1334173 10.3018157 10.3566233 10.5317244 10.6865182
10.8510245 10.9081643 11.0206485 11.0773577 11.1225023
11.1696648 11.2200209 11.4249181 11.5524422 11.6626702
11.7549679 11.8963838 12.0389365 12.1155078 12.2864690
12.3004565 12.4606229 12.5526943 12.6116144 12.6847066
12.9546270 13.0338878 13.1647587 13.2891700 13.3245417
13.4268088 13.6605013 13.6819507 13.8013577 13.9495247
14.1561134 14.4846597 14.5127237 14.5680984 14.6410882
14.7058203 14.8004379 14.9814376 15.2036166 15.2769853
15.5098369 15.6322668 15.8226054 15.8405507 16.0964472
16.1059365 16.1769514 16.3248646 16.3469457 16.5904653
16.6240096 16.6347119 16.8054167 16.8795909 16.9196188
17.1333479 17.2170769 17.3397492 17.5294643 17.5847670
17.6019832 17.8417154 17.8695151 18.2382005 18.2444615
18.3311420 18.5057134 18.6040707 18.8857670 18.9982442
19.1126699 19.3750130 19.4500043 19.5215691 19.5542852
19.7023728 19.8831712 19.9659709 20.2113923 20.3065122
20.4567123 20.5038665 20.6561530 20.6835113 21.0177006
21.0689424 21.1425679 21.3098193 21.4917858 21.5605718
21.6079197 21.7047409 21.7938049 21.8073037 21.8898116
22.0932045 22.1864040 22.2167781 22.4609418 22.6231614
22.6316578 22.8181606 22.8965029 22.9881013 23.0402871
23.3635724 23.4465178 23.5745816 23.8376005 23.9264150
23.9794491 24.0744721 24.2193084 24.4530390 24.4806363
24.6461664 24.7486164 24.9497515 25.0722185 25.2298242
25.2461977 25.3664099 25.5325009 25.6438047 25.7342770
25.8135352 25.9551165 26.0137068 26.2513610 26.3475108
26.5981431 26.7300406 26.7739074 26.8935012 26.9601035
27.0419977 27.0821815 27.3391006 27.4934463 27.5763353
27.6772609 27.7666554 27.8118424 27.8420770 27.8719118
27.9019202 27.9560271 28.1086821 28.2199033 28.2494777
28.4080210 28.5061867 28.5332275 28.5549028 28.6070385
28.6605943 28.6783504 28.8197267 28.9735194 29.1347306
29.3514586 29.4249740 29.5534965 29.7189319 29.8551650
29.8628011 29.9259084 30.0885454 30.2434590 30.2907614
30.4579146 30.6381505 30.8861460 30.9632871 31.1204532
31.3553934 31.4631215 31.4862135 31.7393181 31.8983840
32.0466981 32.0913238 32.2973911 32.4523473 32.4922213
32.6683385 32.7698031 33.1513304 33.2557400 33.4989857
33.6436313 33.7651083 34.0133700 34.1503419 34.2986594
34.4494739 34.5662817 34.6822891 34.7662046 34.8313528
35.0839052 35.1316261 35.5045625 35.6920118 35.7833994
35.9063873 36.2496769 36.3942643 36.5545133 36.7246004
36.8514550 37.1191825 37.2492502 37.4050858 37.5125200
37.7624353 37.8182441 37.9802661 38.3980223 38.4274770
38.6018845 38.8913571 39.0892447 39.3134302 39.5490620
39.5973634 39.8742666 39.9761687 40.0495207 40.2210939
40.5977096 40.6916178 40.9312050 41.0038791 41.3610200
41.3834666 41.5727181 41.6324923 41.8138847 42.0677006
42.3072435 42.3695270 42.4323532 42.6552699 42.7449082
43.0654803 43.0830315 43.3164339 43.4394885 43.4687218
43.7808059 43.8422248 43.9299561 43.9864696 44.0330856
44.5379708 44.7792506 44.8303813 44.9724304 45.0049807
45.1717736 45.4490641 45.5972002 45.7333789 46.2026235
46.2694113 46.4982885 46.5524922 46.9269284 47.0990208
47.2345718 47.3591852 47.5972191 47.6710219 47.8412894
48.1838328 48.2840233 48.5684061 48.6165528 48.7119164
48.9449705 49.3029184 49.4915626 49.5561598 49.9204117
50.1093641 50.3039535 50.6160937 50.7634348 50.9290604
50.9584302 50.9813740 51.3052485 51.6782743 52.0326135
52.3759541 52.5433694 52.7590979 52.8882773 53.0787796
53.1769136 53.4185752 53.4768626 53.5401236 53.7099996
53.8755780 54.1578701 54.2735983 54.7329139 54.7572511
54.9127445 55.2141917 55.4725224 55.6252840 55.6947320
55.8345855 55.9546513 56.3323047 56.5026463 56.5806493
56.6735096 56.9601602 57.2004001 57.2992960 57.3594774
57.7722087 58.1357598 58.2725287 58.4216579 58.4943575
58.5221773 58.8248343 58.9692781 59.3346626 59.6362144
59.9413300 59.9545050 60.2116201 60.4230938 60.5070333
60.5807072 60.9525770 60.9929642 61.2744131 61.6370016
61.6472704 62.1414997 62.2452141 62.2496451 62.3659109
62.4972857 62.8150763 62.9717701 63.1069818 63.3971144
63.5199807 63.8874439 64.1613759 64.3061104 64.7757420
64.9669008 65.0097630 65.0241833 65.5073518 65.8088846
66.0466922 66.3897608 66.4126933 66.6172588 66.8332817
66.9459588 67.0636516 67.4270514 67.5543819 67.7034474
67.7347389 68.3312693 68.6968227 69.3265523 69.3675231
69.7323546 70.1761945 70.3076569 70.4460891 71.0857456
71.6004405 71.8860679 72.2483862 72.3925668 72.8372756
73.0537737 73.2361352 73.7764547 73.8199722 74.3591916
74.6463872 74.9646942 75.0920351 75.3782137 75.4148326
75.4567961 75.7746401 75.9627924 76.4078563 76.6689535
76.7180712 76.8841239 77.3021947 77.7381588 78.2773958
78.4886600 78.6380190 79.4950108 79.5771096 79.7494888
80.3141372 80.5711291 80.9537874 80.9868719 81.1481649
81.2132290 81.6483253 82.2241297 82.4831181 82.7707727
83.2904579 83.4672757 83.8559897 83.9815322 84.9838206
85.0574118 85.5552761 85.6047114 85.9168890 86.1566453
86.6003820 87.1879418 88.1210658 88.2531503 89.2132474
89.4441857 90.2540112 90.8362565 91.2895876 91.5771975
91.9322548 92.1933500 92.5743243 93.0718590 93.3197315
93.8827243 94.0404401 95.0179266 95.7688687 96.8509400
97.6663636 98.1181049 98.6728132 99.4364338 100.2521938
101.2284940 102.2811886 103.0291292 104.2218180 105.5621656
107.6386258 107.8747543 110.0219611 110.4607931 111.2734729
113.0616487 113.6491880 114.7640272 120.9561302 123.4971684
127.6845485 129.3888225 135.2757946
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034251 0.0034293 0.0034325 0.0034349 0.0034414
0.0034465 27.0405758 30.1259944 38.2925770 39.9390602
46.3557460 48.7302104 54.9410633 58.1273506 61.0710171
62.9763161 70.7017850 72.6619391 75.3514134 78.8687342
85.8274437 89.2203127 91.2110863 93.9349870 99.4675292
101.4463769 104.5581956 108.0991927 109.2553630 111.7695842
113.2399231 114.4362655 119.5842121 124.8426132 127.2849666
130.3624955 131.9703212 134.0180818 138.2078526 139.6992132
144.4598633 149.1484347 153.6003322 155.8741721 159.7679506
161.2647649 162.7629823 164.1378859 168.9735504 170.3686402
177.2938933 179.6004715 181.2320461 183.4079701 186.5460061
191.9592211 194.0534842 195.1989589 198.8453557 204.3586821
206.5413722 207.8378697 211.3809356 214.9910185 216.4762803
219.7123332 220.3982284 220.9059758 225.0846571 225.6261260
227.5737791 228.2769647 232.5753783 235.1496241 236.8590275
239.6533531 241.9140557 246.1107725 247.8324679 252.7689460
252.8542053 255.8399283 257.1688312 259.5247792 260.3005509
264.3814795 265.3123671 265.8884181 271.7538816 272.0662446
274.9674373 276.5546085 279.9808847 281.0857258 283.9905386
287.2622441 289.9171231 290.3925054 293.1795010 294.3510107
296.7034795 298.6970454 299.9348024 301.7781560 306.1673002
310.1890712 314.2255149 316.8547166 320.2317565 321.2370377
323.2341192 325.0538531 326.9273632 328.3385300 329.7020222
335.1443460 336.0999085 337.8087607 341.1228480 344.0300973
345.6791974 348.5396315 349.4655505 352.4074033 354.9877740
357.7096464 358.6502316 360.4946757 361.4209900 362.1567063
362.9237178 363.7408806 367.0471264 369.0899183 370.8465795
372.3111167 374.5439303 376.7813018 377.9776245 380.6350917
380.8516972 383.3232460 384.7368252 385.6387108 386.7546055
390.8478587 392.0417055 394.0049992 395.8623598 396.3888412
397.9070944 401.3549269 401.6699024 403.4188492 405.5785560
408.5707733 413.2847961 413.6849711 414.4734478 415.5104583
416.4279846 417.7654913 420.3122277 423.4174334 424.4378552
427.6602605 429.3448510 431.9507968 432.1956764 435.6726481
435.8010486 436.7607671 438.7529753 439.0496041 442.3077652
442.7546905 442.8971873 445.1638843 446.1452146 446.6738907
449.4862350 450.5831951 452.1855559 454.6525197 455.3691338
455.5919918 458.6839922 459.0411985 463.7525097 463.8321043
464.9326456 467.1412255 468.3810017 471.9137096 473.3169021
474.7401465 477.9872162 478.9113517 479.7916008 480.1934731
482.0083326 484.2148525 485.2220153 488.1950775 489.3425134
491.1489259 491.7146670 493.5373235 493.8640510 497.8378142
498.4443164 499.3144649 501.2855246 503.4212364 504.2262111
504.7795579 505.9092066 506.9461275 507.1031009 508.0615071
510.4164197 511.4918746 511.8418814 514.6467824 516.5019049
516.5988842 518.7231100 519.6128201 520.6511490 521.2417846
524.8858976 525.8167983 527.2508363 530.1839167 531.1706817
531.7590396 532.8115939 534.4119359 536.9844385 537.2873688
539.1007899 540.2201039 542.4108803 543.7404754 545.4467923
545.6237541 546.9212320 548.7088420 549.9035338 550.8727198
551.7203760 553.2313364 553.8554083 556.3795924 557.3975757
560.0424403 561.4293197 561.8898134 563.1433414 563.8402278
564.6959414 565.1153475 567.7895456 569.3900467 570.2477181
571.2902792 572.2121375 572.6775519 572.9887503 573.2956678
573.6042047 574.1600966 575.7255746 576.8634738 577.1656703
578.7830047 579.7821528 580.0570775 580.2773556 580.8068510
581.3502667 581.5303212 582.9619501 584.5153301 586.1392225
588.3152750 589.0515782 590.3366076 591.9866028 593.3419002
593.4177753 594.0444622 595.6564881 597.1879152 597.6547497
599.3014971 601.0720764 603.4998137 604.2529930 605.7846112
608.0669619 609.1106375 609.3341213 611.7783109 613.3093998
614.7335627 615.1614282 617.1333289 618.6119969 618.9919225
620.6672124 621.6303303 625.2385704 626.2223859 628.5084325
629.8638926 630.9999918 633.3154925 634.5893922 635.9659344
637.3626017 638.4422404 639.5126764 640.2858746 640.8855079
643.2047529 643.6420457 647.0492870 648.7551135 649.5851357
650.7004930 653.8036639 655.1062651 656.5469426 658.0726168
659.2081988 661.5984543 662.7565797 664.1414836 665.0945673
667.3063806 667.7993016 669.2282756 672.8987297 673.1567665
674.6826374 677.2076096 678.9283119 680.8724312 682.9098456
683.3267385 685.7118181 686.5874565 687.2170748 688.6875301
691.9043268 692.7041011 694.7403854 695.3568745 698.3785635
698.5680423 700.1635382 700.6667125 702.1914526 704.3194266
706.3218562 706.8415789 707.3654425 709.2210667 709.9658754
712.6231519 712.7683511 714.6964554 715.7109005 715.9516842
718.5171786 719.0209965 719.7400422 720.2028467 720.5843739
724.7037243 726.6640764 727.0788252 728.2298213 728.4933136
729.8419993 732.0786683 733.2707622 734.3649234 738.1227630
738.6560631 740.4807354 740.9122041 743.8859303 745.2486869
746.3203288 747.3041452 749.1798187 749.7604216 751.0981950
753.7823288 754.5656064 756.7844602 757.1594745 757.9017122
759.7125763 762.4855080 763.9428370 764.4412301 767.2455167
768.6961853 770.1872759 772.5731188 773.6967639 774.9579042
775.1813238 775.3558148 777.8147559 780.6372697 783.3089709
785.8890792 787.1440910 788.7583335 789.7233711 791.1443752
791.8753858 793.6726787 794.1055661 794.5751255 795.8346697
797.0604343 799.1458868 799.9992656 803.3773167 803.5559094
804.6960238 806.9017171 808.7871404 809.9000038 810.4054248
811.4222805 812.2942463 815.0308361 816.2621799 816.8254179
817.4954316 819.5602404 821.2867446 821.9964146 822.4279728
825.3815677 827.9744904 828.9478560 830.0078862 830.5241549
830.7216286 832.8669651 833.8888867 836.4683612 838.5912256
840.7337224 840.8261132 842.6271273 844.1055573 844.6916677
845.2057633 847.7959082 848.0767364 850.0311875 852.5424880
852.6135026 856.0244031 856.7384589 856.7689527 857.5686873
858.4714536 860.6512938 861.7240839 862.6487259 864.6294535
865.4668922 867.9666462 869.8254583 870.8059766 873.9799680
875.2686132 875.5572965 875.6543979 878.9016946 880.9221807
882.5124000 884.8014635 884.9542653 886.3161431 887.7520291
888.5000635 889.2807242 891.6868552 892.5283970 893.5125811
893.7190407 897.6458438 900.0437192 904.1595663 904.4266982
906.8019500 909.6832268 910.5348920 911.4308493 915.5594336
918.8680000 920.6989434 923.0162686 923.9368059 926.7703411
928.1466636 929.3043908 932.7261889 933.0012358 936.4025982
938.2091773 940.2074047 941.0056208 942.7970199 943.0259982
943.2883286 945.2729307 946.4457833 949.2143345 950.8347557
951.1392813 952.1680732 954.7533533 957.4418473 960.7567947
962.0524227 962.9673501 968.2003085 968.7001359 969.7487626
973.1757522 974.7315089 977.0434242 977.2430548 978.2157068
978.6077917 981.2257142 984.6795600 986.2291060 987.9473147
991.0439282 992.0953171 994.4027684 995.1468602 1001.0676016
1001.5009418 1004.4276948 1004.7178405 1006.5481427 1007.9515809
1010.5438981 1013.9662348 1019.3777518 1020.1414378 1025.6754352
1027.0021142 1031.6408643 1034.9631677 1037.5425180 1039.1756332
1041.1881971 1042.6656793 1044.8177826 1047.6216735 1049.0157784
1052.1753475 1053.0587637 1058.5175306 1062.6921169 1068.6788153
1073.1681852 1075.6472124 1078.6834997 1082.8493754 1087.2820610
1092.5634510 1098.2296468 1102.2377853 1108.5993065 1115.7051195
1126.6249181 1127.8599886 1139.0294975 1141.2987951 1145.4894710
1154.6568525 1157.6531258 1163.3172555 1194.2884222 1206.7679858
1227.0561961 1235.2181390 1263.0057481
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402172201553200632.eigenfacs
Openam> file on opening on unit 10:
2402172201553200632.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402172201553200632.atom
Openam> file on opening on unit 11:
2402172201553200632.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 = 179
First residue number = 97
Last residue number = 288
Number of atoms found = 201
Mean number per residue = 1.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9485E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9731E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9915E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0044E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0073E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 6.2007E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 7.6965E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1353
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1822
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2560
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3163
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3363
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4239
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4477
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4815
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5275
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6247
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6751
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7055
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7483
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8390
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8727
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9271
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9910
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.012
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.087
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.213
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.322
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.374
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.441
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.477
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.523
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.655
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.770
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.886
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 2.001
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 2.060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 2.165
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 2.205
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 2.247
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 2.285
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 2.421
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.666
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.735
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.853
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.951
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 3.125
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 3.193
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 3.231
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 3.353
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 3.542
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 3.618
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.663
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.789
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.920
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.974
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 4.094
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 4.119
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 4.138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 4.296
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 4.317
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 4.392
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 4.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 4.587
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.689
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.758
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.963
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 5.137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 5.209
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 5.418
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 5.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 5.551
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 5.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 5.712
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 5.746
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.927
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.969
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 6.263
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 6.277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 6.412
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 6.486
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 6.648
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 6.700
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 6.839
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.998
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 7.128
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 7.151
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 7.289
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 7.348
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 7.465
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 7.566
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 7.629
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 7.723
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 7.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 8.159
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 603 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.062007
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= 0.508 for 201 C-alpha atoms.
Bfactors> = 8.746 +/- 14.39
Bfactors> = 17.557 +/- 5.14
Bfactors> Shiftng-fct= 8.810
Bfactors> Scaling-fct= 0.357
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402172201553200632 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=0
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=100
2402172201553200632.eigenfacs
2402172201553200632.atom
making animated gifs
11 models are in 2402172201553200632.7.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 2402172201553200632.7.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 2402172201553200632.7.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 2402172201553200632 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=0
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=100
2402172201553200632.eigenfacs
2402172201553200632.atom
making animated gifs
11 models are in 2402172201553200632.8.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 2402172201553200632.8.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 2402172201553200632.8.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 2402172201553200632 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=0
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=100
2402172201553200632.eigenfacs
2402172201553200632.atom
making animated gifs
11 models are in 2402172201553200632.9.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 2402172201553200632.9.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 2402172201553200632.9.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 2402172201553200632 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=0
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=100
2402172201553200632.eigenfacs
2402172201553200632.atom
making animated gifs
11 models are in 2402172201553200632.10.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 2402172201553200632.10.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 2402172201553200632.10.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 2402172201553200632 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=0
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=100
2402172201553200632.eigenfacs
2402172201553200632.atom
making animated gifs
11 models are in 2402172201553200632.11.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 2402172201553200632.11.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 2402172201553200632.11.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 2402172201553200632 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=0
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=100
2402172201553200632.eigenfacs
2402172201553200632.atom
making animated gifs
11 models are in 2402172201553200632.12.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 2402172201553200632.12.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 2402172201553200632.12.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 2402172201553200632 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=0
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=100
2402172201553200632.eigenfacs
2402172201553200632.atom
making animated gifs
11 models are in 2402172201553200632.13.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 2402172201553200632.13.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 2402172201553200632.13.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 2402172201553200632 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=0
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=100
2402172201553200632.eigenfacs
2402172201553200632.atom
making animated gifs
11 models are in 2402172201553200632.14.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 2402172201553200632.14.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 2402172201553200632.14.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 2402172201553200632 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=0
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=100
2402172201553200632.eigenfacs
2402172201553200632.atom
making animated gifs
11 models are in 2402172201553200632.15.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 2402172201553200632.15.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 2402172201553200632.15.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 2402172201553200632 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=-20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=0
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=20
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=40
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=60
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=80
2402172201553200632.eigenfacs
2402172201553200632.atom
calculating perturbed structure for DQ=100
2402172201553200632.eigenfacs
2402172201553200632.atom
making animated gifs
11 models are in 2402172201553200632.16.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 2402172201553200632.16.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 2402172201553200632.16.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
2402172201553200632.10.pdb
2402172201553200632.11.pdb
2402172201553200632.12.pdb
2402172201553200632.13.pdb
2402172201553200632.14.pdb
2402172201553200632.15.pdb
2402172201553200632.16.pdb
2402172201553200632.7.pdb
2402172201553200632.8.pdb
2402172201553200632.9.pdb
STDERR:
real 0m3.056s
user 0m3.052s
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: 2402172201553200632.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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