*** ***
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 = 2404260320122857144.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 2404260320122857144.atom to be opened.
Openam> File opened: 2404260320122857144.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 = 195
First residue number = 96
Last residue number = 290
Number of atoms found = 200
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 96.694100 +/- 7.648145 From: 79.803000 To: 115.624000
= 82.577710 +/- 9.436438 From: 62.360000 To: 100.028000
= -30.213850 +/- 10.675943 From: -51.939000 To: -9.843000
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 5.6445 % Filled.
Pdbmat> 10177 non-zero elements.
Pdbmat> 998 atom-atom interactions.
Pdbmat> Number per atom= 9.98 +/- 3.13
Maximum number = 19
Minimum number = 4
Pdbmat> Matrix trace = 19960.0
Pdbmat> Larger element = 72.9553
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 200 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) = 600
Diagstd> Number of non-zero elements 10177
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 19960.0000006
%Diagstd-Wn: Nb on non-zero elements there: 600
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 600 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 19960.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0034728 0.0580152 0.0683567 0.1157788
0.1379696 0.1435824 0.1610572 0.1728108 0.2175315
0.2392832 0.2736557 0.3009507 0.3586240 0.3866289
0.4119004 0.4980026 0.5371179 0.5549266 0.6142302
0.6576897 0.6633192 0.6777745 0.7887508 0.8498797
0.9359164 0.9568025 0.9711887 1.0179826 1.0900841
1.1370041 1.1793798 1.2842199 1.3358986 1.3549704
1.4528104 1.5100267 1.5552446 1.5860992 1.6644227
1.6964214 1.7637661 1.8367991 1.9578312 1.9903033
2.0200342 2.0588150 2.2395752 2.2534912 2.3429618
2.3982797 2.5022458 2.5698330 2.6771624 2.6885072
2.7681134 2.8180783 2.8820401 2.9436187 3.1285886
3.2194168 3.2679125 3.4223889 3.4669280 3.6124887
3.6665532 3.7107973 3.9536411 3.9779426 4.0580709
4.1537498 4.1790224 4.2870763 4.4787303 4.5218281
4.6254809 4.7072561 4.7484654 4.8360989 4.9209238
5.0352865 5.0976116 5.1937582 5.2133538 5.3747956
5.4855532 5.5418887 5.5704216 5.7808666 5.9587085
6.0297114 6.1426561 6.1878051 6.2158615 6.3007777
6.3585669 6.4954733 6.5877530 6.6815189 6.8589261
6.9630258 6.9940921 7.0782941 7.2299962 7.3252034
7.5078901 7.6018728 7.6778618 7.7329890 7.8265170
7.9493428 8.0848928 8.0971014 8.1723823 8.3136932
8.3938180 8.5794353 8.6784999 8.7009099 8.8590749
8.9749543 9.1244496 9.2047085 9.2388950 9.4496611
9.4841431 9.7200060 9.7396314 9.8075868 9.9295523
10.1231857 10.1595767 10.2422515 10.3326281 10.4043781
10.4463604 10.5362292 10.5823724 10.6252981 10.8718156
11.0153851 11.1093307 11.2055917 11.3701557 11.3951846
11.6105431 11.6686413 11.7085696 11.8417166 11.9219428
12.1052338 12.2165647 12.3194309 12.4285841 12.4453737
12.5968493 12.6821262 12.7792978 12.8975104 12.9148322
12.9442313 13.0936810 13.1388591 13.3039916 13.4059145
13.5183790 13.6511858 13.6819364 13.9700726 13.9824010
14.1472637 14.3256534 14.4525567 14.5206971 14.8634061
14.9198030 14.9688303 15.0785678 15.1686408 15.2257251
15.4615946 15.5926546 15.6076645 15.6953341 15.7429616
15.7720248 16.0348897 16.1063285 16.3043820 16.4515703
16.5214680 16.6157106 16.6461156 16.8285146 16.9147089
17.0686883 17.2005536 17.2888136 17.4143523 17.4473586
17.5938840 17.6592961 17.7507737 17.8848260 17.9341160
17.9811284 18.1308271 18.2424594 18.4264040 18.6033662
18.7274808 18.8204524 18.9686374 19.0346985 19.1489992
19.3966898 19.4450621 19.5027139 19.6300733 19.7316798
19.7629901 19.9250339 19.9996214 20.1751923 20.2927664
20.4957066 20.7195920 20.7328956 20.9234500 21.0132066
21.1480159 21.2887208 21.4199431 21.4872976 21.5415412
21.6759146 21.7507518 21.8045295 21.9293064 22.1092849
22.3030961 22.4563616 22.4898795 22.5218326 22.6221492
22.8462866 22.8744105 22.9426097 23.0310847 23.2583170
23.3217818 23.5656393 23.6506992 23.7333013 23.8335931
23.9253073 24.0318750 24.1890672 24.2174813 24.2929436
24.3523142 24.4816870 24.5627461 24.7184563 24.7627623
24.8708517 24.9242485 24.9510721 25.1789551 25.2275594
25.3357124 25.4490540 25.5194979 25.6040847 25.7488468
25.8638188 25.9405585 26.3061522 26.3445478 26.4852064
26.6511280 26.7105578 26.8194094 26.9498009 27.0094233
27.1115081 27.3025690 27.3603865 27.4315795 27.5299447
27.5964062 27.6909032 27.8889805 27.9730015 27.9850314
28.0462301 28.1517766 28.1727911 28.3216820 28.4812423
28.5871394 28.6772335 28.8339174 28.8664358 28.9801932
29.0200423 29.2707830 29.4729454 29.5385516 29.6352271
29.8304478 30.1555298 30.1946766 30.3093968 30.4458390
30.4734027 30.6655219 30.8026396 31.0045039 31.1237448
31.2133953 31.5359283 31.6972890 31.7809026 32.1091828
32.1942391 32.3594847 32.4051742 32.5326006 32.8358931
32.8842061 33.1253437 33.1962473 33.3320589 33.6396920
33.6517497 33.7501372 34.0444112 34.2622645 34.4729942
34.4995009 34.6983648 34.7794877 34.9837331 35.1498967
35.2259423 35.3035695 35.4187658 35.6724847 35.8779685
35.9389487 36.1983046 36.2948887 36.3454546 36.4745026
36.6964047 36.7723098 36.8865469 36.9196924 37.2345046
37.3371994 37.5743447 37.6491703 37.7738848 37.9722146
38.0745431 38.2463726 38.3661171 38.4467784 38.6370040
38.7246048 38.8515578 38.9569624 39.1752729 39.3996493
39.6531399 39.6836725 39.8953874 39.9690095 40.0060495
40.2707459 40.3907034 40.4198701 40.4455640 40.6692504
40.7715377 41.0081629 41.0246065 41.1509596 41.4323260
41.5163028 41.5962786 41.6228688 41.9715155 42.1357562
42.2810864 42.4797565 42.5421795 42.6362244 42.8398961
43.1418483 43.2679137 43.5188527 43.5713090 43.7711422
43.8576440 44.2637656 44.3760651 44.4198179 44.5286447
44.6848461 45.0472489 45.2110049 45.4421134 45.5039052
45.7778070 45.9373829 46.1232819 46.3977642 46.5613309
46.6938861 46.9205113 47.0615494 47.1889769 47.6557985
47.7281237 47.8492484 47.9263077 48.1762062 48.2564639
48.4565531 48.5405085 48.7169413 48.9378918 49.0355271
49.2298934 49.5239639 49.5815935 49.6808730 49.8477049
50.1647042 50.2250180 50.5031200 50.7707975 50.9273174
51.0670776 51.1897375 51.2849453 51.4452584 51.7434844
51.8571959 52.0269645 52.1869443 52.3368222 52.4400619
52.8077623 52.8974354 53.0756307 53.1576163 53.3397101
53.4626250 53.6649330 53.7370780 53.9992511 54.2214520
54.2468542 54.7151068 55.0170912 55.2245680 55.2599878
55.3244369 55.6038084 55.7765191 55.8501970 56.1107479
56.6411774 56.7332516 57.0528759 57.1808791 57.4079303
57.5295795 57.7226388 57.8570640 58.0779480 58.2474724
58.3617493 58.6971677 59.0149351 59.1300780 59.3745824
59.4867756 59.5863944 59.7403848 59.7639376 60.0683129
60.3301783 60.3417136 60.5891280 60.9512098 61.4986480
61.6362214 61.7771253 62.1641867 62.2633595 62.6255744
62.7077509 63.0466110 63.4719549 63.7003770 63.7917442
64.1741659 64.7172061 64.8591506 65.1943134 65.3479719
65.6913981 65.9351866 65.9635219 66.1047436 66.1948282
66.5453729 66.9906541 67.2934086 67.6773358 67.7129215
68.1516920 68.5822172 68.9748962 69.3928562 69.6464321
69.9887142 70.2839823 70.3494843 70.6522629 70.9296487
71.4006952 72.0558933 72.2000471 72.3878595 72.8133574
72.9556891 73.3535899 73.6534267 73.9545774 74.2835739
74.7267864 75.3903936 75.6750420 76.2057318 76.6831235
77.1481589 77.5017181 77.7394373 78.1968201 78.6731895
79.3602090 79.8139892 80.1188266 80.5224576 80.8666981
81.2680460 81.9056738 82.5168256 82.8694947 83.0025209
83.9087707 84.6850566 84.7196332 84.8801271 85.4674488
86.2171222 86.6636751 87.3762536 87.5536988 88.2547752
88.8325704 89.4042045 89.7440611 90.5593677 91.5307328
91.9523871 92.5339806 92.8128292 93.3192357 94.0188016
94.8763295 95.2460056 95.5254883 97.1691025 97.9622548
98.5926089 100.4047161 103.2048828 104.7445090 108.5242528
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034211 0.0034243 0.0034280 0.0034293 0.0034318
0.0034363 6.3993090 26.1556791 28.3913445 36.9496042
40.3354571 41.1477244 43.5798137 45.1419986 50.6473102
53.1191860 56.8064296 59.5721040 65.0301791 67.5215528
69.6933563 76.6321635 79.5847948 80.8933934 85.1061328
88.0654970 88.4415962 89.4000792 96.4417719 100.1092016
105.0542927 106.2200354 107.0155988 109.5633917 113.3770829
115.7913965 117.9294114 123.0594545 125.5110665 126.4038139
130.8879762 133.4404804 135.4236865 136.7604286 140.0964402
141.4367107 144.2167730 147.1723116 151.9437714 153.1986424
154.3386291 155.8130912 162.5092560 163.0133638 166.2179372
168.1687114 171.7751208 174.0795414 177.6775848 178.0536490
180.6704899 182.2937632 184.3509131 186.3099525 192.0744104
194.8425857 196.3046065 200.8907601 202.1937334 206.3946938
207.9334096 209.1842085 215.9205122 216.5830848 218.7535437
221.3173420 221.9896002 224.8411962 229.8120185 230.9150847
233.5466957 235.6021198 236.6311517 238.8046973 240.8899047
243.6729803 245.1763932 247.4777404 247.9441572 251.7539282
254.3346281 255.6372753 256.2945169 261.0909105 265.0765742
266.6512008 269.1369843 270.1242621 270.7359605 272.5789791
273.8261389 276.7583168 278.7173054 280.6938398 284.3959069
286.5459562 287.1844715 288.9080095 291.9875362 293.9037476
297.5460796 299.4026092 300.8953142 301.9736004 303.7942484
306.1687724 308.7680909 309.0011312 310.4342409 313.1066388
314.6118343 318.0714089 319.9024843 320.3152505 323.2134821
325.3204793 328.0187118 329.4581836 330.0694250 333.8131167
334.4216076 338.5544659 338.8960757 340.0762951 342.1843267
345.5046386 346.1250943 347.5305591 349.0604778 350.2703234
350.9762926 352.4827645 353.2537668 353.9694989 358.0521766
360.4085805 361.9422046 363.5069158 366.1663958 366.5691920
370.0168886 370.9415016 371.5756117 373.6823722 374.9460629
377.8173264 379.5507285 381.1453302 382.8301273 383.0886206
385.4129002 386.7152645 388.1939614 389.9852873 390.2470813
390.6910055 392.9399260 393.6172363 396.0830537 397.5973701
399.2616433 401.2180554 401.6696933 405.8771590 406.0562105
408.4430445 411.0101050 412.8265515 413.7985961 418.6532364
419.4467419 420.1353383 421.6725462 422.9301181 423.7251802
426.9946377 428.8005257 429.0068643 430.2100607 430.8623026
431.2598283 434.8387797 435.8063532 438.4776392 440.4523781
441.3870606 442.6441616 443.0489717 445.4697030 446.6090755
448.6372748 450.3669298 451.5209196 453.1572611 453.5865034
455.4871639 456.3331029 457.5135108 459.2378132 459.8702001
460.4725556 462.3853747 463.8066534 466.1391440 468.3721326
469.9319370 471.0969688 472.9479506 473.7707909 475.1911252
478.2545284 478.8505027 479.5598382 481.1231353 482.3666906
482.7492484 484.7243255 485.6307380 487.7576861 489.1768634
491.6168142 494.2946161 494.4532778 496.7203217 497.7845870
499.3787919 501.0373063 502.5791148 503.3686677 504.0036316
505.5731438 506.4451499 507.0708443 508.5196373 510.6021377
512.8352375 514.5943059 514.9781999 515.3439041 516.4903503
519.0427037 519.3620772 520.1357313 521.1376812 523.7022292
524.4162541 527.1508286 528.1013437 529.0227601 530.1393487
531.1583860 532.3400096 534.0781866 534.3917772 535.2237186
535.8773482 537.2988995 538.1876652 539.8908318 540.3744722
541.5525550 542.1335897 542.4252352 544.8966421 545.4223107
546.5901997 547.8114455 548.5691022 549.4774926 551.0286401
552.2574778 553.0761633 556.9599208 557.3662328 558.8521955
560.5999802 561.2246771 562.3670742 563.7324833 564.3557263
565.4212392 567.4100670 568.0105398 568.7490545 569.7678626
570.4552021 571.4310575 573.4711827 574.3343804 574.4578646
575.0856446 576.1667395 576.3817455 577.9028035 579.5284275
580.6048111 581.5189968 583.1054560 583.4341717 584.5826456
584.9844220 587.5061948 589.5315468 590.1873253 591.1523360
593.0962341 596.3191577 596.7060914 597.8385650 599.1826834
599.4538524 601.3405085 602.6834251 604.6550353 605.8166475
606.6885333 609.8149824 611.3731198 612.1789530 615.3325751
616.1470352 617.7262817 618.1622223 619.3764251 622.2568649
622.7144753 624.9934654 625.6619963 626.9405357 629.8270165
629.9398828 630.8600873 633.6044136 635.6284275 637.5801438
637.8252182 639.6608704 640.4081800 642.2858525 643.8093906
644.5054439 645.2151995 646.2670171 648.5776224 650.4429377
650.9954676 653.3402211 654.2112599 654.6668238 655.8280228
657.8199477 658.4999330 659.5219900 659.8182401 662.6253865
663.5385354 665.6424152 666.3048663 667.4075354 669.1573359
670.0583606 671.5686372 672.6191137 673.3258029 674.9894759
675.7542372 676.8610118 677.7785551 679.6749994 681.6186395
683.8078329 684.0710455 685.8933991 686.5259747 686.8440090
689.1124831 690.1380756 690.3872098 690.6066060 692.5136915
693.3840156 695.3931963 695.5326032 696.6028773 698.9803033
699.6883058 700.3619119 700.5857271 703.5137754 704.8889076
706.1034755 707.7604483 708.2802765 709.0627158 710.7542817
713.2547194 714.2960648 716.3644060 716.7960180 718.4378758
719.1474244 722.4694023 723.3852932 723.7418181 724.6278457
725.8976887 728.8353302 730.1588616 732.0226865 732.5202165
734.7215399 736.0010011 737.4887187 739.6798823 740.9825374
742.0365368 743.8350667 744.9521727 745.9600359 749.6406966
750.2093303 751.1606698 751.7652839 753.7226716 754.3502309
755.9125212 756.5670816 757.9408021 759.6576374 760.4150510
761.9206212 764.1928667 764.6373717 765.4025236 766.6865844
769.1205371 769.5827614 771.7104565 773.7528700 774.9446427
776.0072573 776.9386586 777.6608376 778.8753449 781.1296368
781.9874707 783.2664494 784.4697735 785.5954418 786.3698939
789.1220204 789.7917422 791.1209076 791.7316912 793.0865882
793.9998486 795.5007178 796.0352586 797.9747489 799.6148515
799.8021353 803.2466182 805.4602133 806.9775337 807.2362806
807.7068786 809.7436471 811.0002423 811.5357098 813.4264853
817.2622079 817.9261967 820.2269805 821.1465911 822.7752612
823.6465431 825.0273933 825.9875018 827.5627079 828.7696193
829.5822104 831.9626956 834.2116437 835.0250539 836.7496984
837.5398790 838.2408737 839.3233168 839.4887531 841.6237793
843.4562965 843.5369285 845.2645036 847.7863996 851.5851201
852.5370923 853.5110104 856.1806500 856.8633258 859.3520975
859.9157283 862.2360043 865.1396519 866.6949811 867.3163203
869.9121500 873.5849843 874.5424777 876.7991862 877.8318558
880.1354881 881.7671190 881.9565664 882.9001544 883.5015380
885.8378073 888.7966100 890.8027393 893.3402611 893.5750956
896.4655432 899.2926441 901.8634944 904.5918321 906.2431077
908.4672753 910.3815771 910.8056986 912.7636120 914.5536444
917.5854121 921.7858427 922.7074366 923.9067660 926.6181631
927.5233730 930.0492922 931.9481679 933.8514776 935.9263517
938.7142986 942.8731867 944.6514939 947.9580071 950.9226186
953.8016371 955.9847083 957.4497206 960.2621848 963.1826676
967.3790583 970.1408437 971.9917311 974.4370561 976.5177359
978.9380046 982.7708672 986.4306009 988.5363088 989.3294145
994.7156702 999.3064057 999.5103917 1000.4566859 1003.9120117
1008.3052804 1010.9131158 1015.0606449 1016.0908235 1020.1508287
1023.4847941 1026.7725557 1028.7222647 1033.3845665 1038.9119695
1041.3021962 1044.5900930 1046.1628310 1049.0129916 1052.9376032
1057.7285274 1059.7871903 1061.3409312 1070.4327206 1074.7925978
1078.2450167 1088.1088348 1103.1775182 1111.3757414 1131.2502351
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404260320122857144.eigenfacs
Openam> file on opening on unit 10:
2404260320122857144.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404260320122857144.atom
Openam> file on opening on unit 11:
2404260320122857144.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 = 195
First residue number = 96
Last residue number = 290
Number of atoms found = 200
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: 9.9254E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9436E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9654E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9729E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9874E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0014E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.4728E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.8015E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.8357E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1380
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1436
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1611
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1728
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2175
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2393
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2737
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3586
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3866
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4119
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4980
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5371
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5549
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6577
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6633
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6778
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8499
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9359
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9568
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9712
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.090
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.179
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.284
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.336
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.355
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.453
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.555
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.586
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.664
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.696
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.764
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.837
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.990
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.020
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.240
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.253
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.343
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.398
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.570
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.677
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.689
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.768
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.818
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 2.882
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 2.944
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.129
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.219
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.268
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.467
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.612
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.711
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.978
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.058
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.154
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.179
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.287
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.479
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.522
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.625
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.707
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.748
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.836
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.921
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.035
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.098
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.213
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.375
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.486
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.542
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.570
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.781
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.959
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.030
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.143
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.188
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.216
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.301
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.359
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.495
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.588
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.682
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.859
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.963
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 600 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 : 0.003473
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.178 for 200 C-alpha atoms.
Bfactors> = 32.760 +/- 171.89
Bfactors> = 14.690 +/- 6.95
Bfactors> Shiftng-fct= -18.070
Bfactors> Scaling-fct= 0.040
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404260320122857144 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=0
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=100
2404260320122857144.eigenfacs
2404260320122857144.atom
making animated gifs
11 models are in 2404260320122857144.7.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 2404260320122857144.7.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 2404260320122857144.7.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 2404260320122857144 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=0
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=100
2404260320122857144.eigenfacs
2404260320122857144.atom
making animated gifs
11 models are in 2404260320122857144.8.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 2404260320122857144.8.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 2404260320122857144.8.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 2404260320122857144 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=0
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=100
2404260320122857144.eigenfacs
2404260320122857144.atom
making animated gifs
11 models are in 2404260320122857144.9.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 2404260320122857144.9.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 2404260320122857144.9.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 2404260320122857144 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=0
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=100
2404260320122857144.eigenfacs
2404260320122857144.atom
making animated gifs
11 models are in 2404260320122857144.10.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 2404260320122857144.10.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 2404260320122857144.10.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 2404260320122857144 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=0
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=100
2404260320122857144.eigenfacs
2404260320122857144.atom
making animated gifs
11 models are in 2404260320122857144.11.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 2404260320122857144.11.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 2404260320122857144.11.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 2404260320122857144 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=0
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=100
2404260320122857144.eigenfacs
2404260320122857144.atom
making animated gifs
11 models are in 2404260320122857144.12.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 2404260320122857144.12.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 2404260320122857144.12.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 2404260320122857144 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=0
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=100
2404260320122857144.eigenfacs
2404260320122857144.atom
making animated gifs
11 models are in 2404260320122857144.13.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 2404260320122857144.13.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 2404260320122857144.13.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 2404260320122857144 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=0
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=100
2404260320122857144.eigenfacs
2404260320122857144.atom
making animated gifs
11 models are in 2404260320122857144.14.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 2404260320122857144.14.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 2404260320122857144.14.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 2404260320122857144 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=0
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=100
2404260320122857144.eigenfacs
2404260320122857144.atom
making animated gifs
11 models are in 2404260320122857144.15.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 2404260320122857144.15.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 2404260320122857144.15.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 2404260320122857144 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=-20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=0
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=20
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=40
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=60
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=80
2404260320122857144.eigenfacs
2404260320122857144.atom
calculating perturbed structure for DQ=100
2404260320122857144.eigenfacs
2404260320122857144.atom
making animated gifs
11 models are in 2404260320122857144.16.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 2404260320122857144.16.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 2404260320122857144.16.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
2404260320122857144.10.pdb
2404260320122857144.11.pdb
2404260320122857144.12.pdb
2404260320122857144.13.pdb
2404260320122857144.14.pdb
2404260320122857144.15.pdb
2404260320122857144.16.pdb
2404260320122857144.7.pdb
2404260320122857144.8.pdb
2404260320122857144.9.pdb
STDERR:
real 0m3.150s
user 0m3.146s
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: 2404260320122857144.Chkmod.res: No such file or directory
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
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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
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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