*** ***
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 = 2404140326584161007.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 2404140326584161007.atom to be opened.
Openam> File opened: 2404140326584161007.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 = 193
First residue number = 96
Last residue number = 288
Number of atoms found = 208
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 28.885312 +/- 9.111764 From: 9.459000 To: 50.005000
= 3.125255 +/- 8.113490 From: -17.366000 To: 24.174000
= -32.324683 +/- 10.035265 From: -50.628000 To: -10.317000
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 5.8621 % Filled.
Pdbmat> 11431 non-zero elements.
Pdbmat> 1132 atom-atom interactions.
Pdbmat> Number per atom= 10.88 +/- 3.96
Maximum number = 22
Minimum number = 3
Pdbmat> Matrix trace = 22640.0
Pdbmat> Larger element = 84.9453
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 208 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) = 624
Diagstd> Number of non-zero elements 11431
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 22640.0000006
%Diagstd-Wn: Nb on non-zero elements there: 624
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 624 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 22640.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000021 0.0303942 0.0409243 0.0712688
0.1102447 0.1292164 0.1798703 0.2090960 0.2402951
0.2806775 0.3043307 0.3593453 0.4160776 0.4196019
0.4772988 0.5136291 0.5241289 0.6155160 0.6565662
0.7618206 0.7841340 0.8134182 0.9057851 0.9568091
0.9914632 1.0079318 1.0405588 1.0876428 1.1107344
1.1939264 1.2210339 1.3614866 1.3914926 1.4148023
1.5575431 1.6383826 1.6905499 1.7240602 1.7639696
1.8111268 1.8628711 1.8831348 1.9707410 2.0342716
2.1390761 2.2291668 2.3389963 2.4082406 2.4477507
2.5587331 2.6076260 2.7822488 2.8730597 2.9445820
3.0798797 3.1215152 3.1683656 3.1945397 3.2994834
3.4332139 3.5378438 3.6402544 3.7133680 3.8017263
3.8346538 4.0819479 4.1757596 4.1874493 4.2966087
4.3600865 4.4301614 4.5216663 4.5690641 4.6949681
4.7372632 4.8709947 4.9901613 5.0891986 5.1198503
5.1929773 5.2985955 5.3907387 5.4488173 5.5006611
5.6046373 5.7853947 5.8811356 5.9832399 6.0626795
6.1212928 6.1310128 6.2128854 6.3247461 6.4759254
6.6035484 6.6413482 6.7747479 6.8237373 6.8513810
6.8799816 7.0008591 7.0692758 7.2114994 7.2582135
7.3607322 7.5587001 7.6448631 7.8286815 7.8594187
7.9905427 8.0638340 8.2203394 8.2746835 8.3337552
8.5606181 8.6571357 8.7616079 8.8385248 8.8762006
8.9315175 9.0581893 9.2513240 9.3581231 9.4899798
9.5957683 9.7565616 9.8626233 9.9665096 10.0854817
10.2300827 10.2806385 10.3875417 10.5218015 10.5809331
10.7378204 10.8195680 10.9573569 11.0759799 11.1580219
11.3092191 11.4926919 11.5525080 11.6095773 11.7022387
11.7919978 11.8763199 11.9457461 12.1147841 12.2397478
12.3327916 12.4292126 12.5199419 12.6587121 12.7173661
12.7910020 12.9378621 12.9584411 13.1200294 13.2806631
13.5010321 13.5809296 13.7822050 13.9141913 14.0181492
14.1969246 14.4206553 14.5030381 14.6021052 14.7644164
14.8766382 14.9357112 15.0635458 15.1940706 15.3334338
15.6101727 15.6988491 15.8568831 15.8860409 15.9775131
16.0388580 16.0873259 16.1506727 16.3749634 16.4614516
16.5222768 16.6241675 16.6724709 16.6918030 16.8210602
16.8847466 17.1063477 17.1381616 17.2731237 17.3434701
17.6253499 17.6846043 17.7900825 17.8128446 18.1087153
18.3158946 18.3351862 18.3718757 18.5441331 18.6346461
18.6485907 18.6568399 18.8873345 18.8964407 19.0298467
19.1747215 19.2475970 19.4674007 19.5401460 19.6028886
19.6420224 19.8155402 19.9028283 19.9547015 20.0679074
20.1628312 20.2685818 20.3937760 20.4417208 20.6245085
20.7622002 20.8493933 20.8795563 21.1321959 21.3731785
21.5371783 21.6257117 21.7951937 21.8290374 21.8357770
22.0050716 22.1460898 22.2496680 22.2917542 22.3126566
22.4070503 22.6247450 22.7037334 22.7856209 22.8951075
22.9326561 22.9861906 23.1325595 23.2765269 23.3896321
23.4299129 23.6611726 23.7654950 23.8068722 23.9479807
23.9684764 24.1395691 24.2927557 24.3722225 24.4705316
24.5919984 24.6371584 24.7346339 24.7801643 24.8380787
25.1126186 25.1718882 25.4519872 25.6312386 25.6725321
25.7458093 25.8845495 26.0243732 26.1272844 26.3440421
26.4284551 26.4554697 26.5159474 26.6789735 26.7895887
26.9840754 27.0090523 27.1407459 27.2208247 27.4024377
27.4467962 27.5939937 27.6904517 27.8569444 28.1013361
28.2118911 28.3481369 28.4534359 28.5277595 28.5819205
28.6799473 28.7284592 28.8049508 28.9110890 29.0219107
29.1193309 29.2129714 29.3281636 29.5865605 29.6184904
29.6500656 29.7330062 29.9249201 29.9611358 29.9993452
30.2669580 30.4395743 30.5725980 30.7109933 30.8778830
30.9423977 31.1984416 31.3245089 31.4037834 31.5954493
31.6925698 31.7999635 31.9545462 32.0900781 32.2688923
32.3978436 32.5960396 32.7523995 33.2200488 33.2809888
33.3543481 33.4624603 33.5560112 33.7098482 33.9192295
34.1150987 34.3862106 34.4594256 34.7222544 34.8180304
34.8313558 35.0791169 35.1978263 35.4194651 35.5341157
35.8413613 35.9638395 36.2340779 36.3434644 36.4180960
36.7390110 36.9172119 37.1145260 37.3623028 37.4857199
37.6856521 37.6996932 37.9265487 38.0438838 38.3510393
38.4466546 38.6169791 38.7085756 38.7585123 38.9563989
39.0997434 39.3181080 39.7490166 39.8760038 39.9546053
40.0225623 40.2808837 40.4025047 40.5181045 40.7944540
40.9453145 41.0503250 41.1502870 41.2113182 41.2760349
41.4145704 41.6840341 41.8101284 42.1217261 42.3102652
42.3390481 42.5624670 42.5998179 42.8978187 42.9621299
43.3200653 43.4666673 43.5306720 43.7581321 43.8352328
44.2142062 44.5346067 44.7511026 44.8087704 45.0687135
45.4081281 45.4400945 45.6001010 45.7543171 45.7643598
45.9191294 46.2077147 46.2848929 46.5460713 46.7884893
46.8380133 46.9271584 47.0897874 47.3906822 47.4836206
47.5505310 47.6933210 47.8757491 48.2161206 48.4094935
48.5745233 48.6141387 48.8166789 49.0334004 49.0742410
49.1502605 49.5704544 49.7946205 50.0173397 50.1994904
50.2845315 50.3327287 50.4469685 50.6101436 50.7398852
50.7830533 51.1415194 51.3901688 51.7590554 51.8755155
52.3925238 52.6289287 52.6785179 52.7240421 52.8307314
52.8325068 53.0118776 53.2339836 53.3722991 53.5393490
54.0342744 54.0987861 54.3073868 54.5643152 54.5988328
54.6431290 54.8373747 54.9219465 55.0507378 55.2116328
55.3533241 55.5468230 55.5828049 55.6432448 55.8414892
56.0881924 56.4061516 56.5079362 56.5574472 56.6685859
56.9231705 57.0562517 57.2886311 57.5845268 57.8064334
58.1313627 58.2518320 58.3930811 58.5108477 58.6374434
58.8067754 59.1279336 59.3921275 59.4411478 59.5350696
59.8033395 59.9006210 60.0457563 60.2781440 60.5316213
60.7342826 60.9617811 61.1748427 61.3238621 61.3851936
61.7346091 61.9056179 61.9330147 62.1944930 62.3011875
62.4134529 62.4818249 63.0368172 63.1594010 63.3921494
63.6564167 63.9488385 64.4400035 64.6230730 64.6748704
64.8980557 65.0029201 65.1583107 65.5668788 65.6031388
66.0024879 66.0475642 66.0915731 66.4513490 66.6716772
66.7298672 67.0024630 67.0521869 67.6439426 67.8436690
67.9585174 68.2396182 68.6041967 68.9320042 69.1995631
69.5718041 69.7395831 69.8966395 70.0798291 70.3710588
70.7912090 71.0506372 71.2294609 71.5043105 71.6798075
71.8883304 71.9175421 72.2729333 72.6028301 72.8140792
73.2729537 74.0060018 74.7855924 74.8533369 75.0881395
75.3291525 75.5451350 76.0636400 76.3522612 76.4788342
76.7258128 76.8661583 77.5036922 77.8343729 78.1037580
78.5467516 78.9266823 79.1860165 79.6759789 80.2637910
80.7144204 80.8210726 81.0457849 81.6449392 82.0994924
82.4430435 82.5559581 83.8614450 83.9978399 84.2153369
84.9081198 85.1591541 85.3950357 86.0129768 86.3286789
86.4783344 86.7746240 87.3167294 88.6548931 88.6673582
88.9616044 89.7098270 89.9366286 90.2774998 90.9654327
91.0596606 91.5025586 92.3957679 92.9479339 93.5362222
93.7373146 93.9280143 94.7949938 95.5909159 96.4784799
97.4655084 98.3951526 98.7668723 99.6693880 100.6524632
100.8766631 102.0237978 103.8346006 104.1601462 105.6617489
106.4230642 110.1334576 112.1061506 113.8655355 119.6339745
122.4077660 123.0330250 128.1739729 131.7285642
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034228 0.0034245 0.0034309 0.0034366 0.0034382
0.0034399 0.1554906 18.9317393 21.9677659 28.9897806
36.0557118 39.0349947 46.0548142 49.6555859 53.2313781
57.5306260 59.9057037 65.0955436 70.0458558 70.3418893
75.0223168 77.8251688 78.6166125 85.1951661 87.9902451
94.7810761 96.1591077 97.9382233 103.3493788 106.2203975
108.1268591 109.0211725 110.7716414 113.2500570 114.4459403
118.6544557 119.9938943 126.7073978 128.0960464 129.1644961
135.5237214 138.9962033 141.1917350 142.5842279 144.2250950
146.1402038 148.2131303 149.0170567 152.4439035 154.8815728
158.8211734 162.1311865 166.0772113 168.5175820 169.8943258
173.7031812 175.3549117 181.1311977 184.0634715 186.3404352
190.5733442 191.8571587 193.2915766 194.0883297 197.2505639
201.2082152 204.2511954 207.1863543 209.2566523 211.7316124
212.6465606 219.3961544 221.9029246 222.2133052 225.0910254
226.7476703 228.5625410 230.9109529 232.1180463 235.2944062
236.3518663 239.6647201 242.5786478 244.9739925 245.7106117
247.4591353 249.9629616 252.1270376 253.4815791 254.6846224
257.0804413 261.1931473 263.3454848 265.6216614 267.3791795
268.6685662 268.8817909 270.6711396 273.0969367 276.3415551
279.0512432 279.8487710 282.6453537 283.6654418 284.2394412
284.8320915 287.3233687 288.7239059 291.6137953 292.5567679
294.6156342 298.5512119 300.2480102 303.8362534 304.4321339
306.9611530 308.3657044 311.3437512 312.3711930 313.4841944
317.7224051 319.5084824 321.4305756 322.8383900 323.5257358
324.5322840 326.8255317 330.2913693 332.1923723 334.5244958
336.3838656 339.1904959 341.0291499 342.8205329 344.8606194
347.3240474 348.1812059 349.9868046 352.2413461 353.2297425
355.8388378 357.1907809 359.4580250 361.3985118 362.7345171
365.1838726 368.1341968 369.0909695 370.0014987 371.4751413
372.8970737 374.2279523 375.3201843 377.9663359 379.9106911
381.3519551 382.8398064 384.2345700 386.3581174 387.2521759
388.3716888 390.5948734 390.9053915 393.3350824 395.7356366
399.0053931 400.1842843 403.1388318 405.0645761 406.5749522
409.1592925 412.3706797 413.5469047 414.9569253 417.2568003
418.8395465 419.6702981 421.4624495 423.2844857 425.2212804
429.0413343 430.2582321 432.4184266 432.8158115 434.0601049
434.8925829 435.5491893 436.4058748 439.4256957 440.5846323
441.3978641 442.7567939 443.3995671 443.6565580 445.3710287
446.2133440 449.1319268 449.5493743 451.3159906 452.2340709
455.8942914 456.6599802 458.0198094 458.3127296 462.1033322
464.7392452 464.9839289 465.4489224 467.6258906 468.7657312
468.9410904 469.0447969 471.9332930 472.0470466 473.7104060
475.5101734 476.4129291 479.1254764 480.0198342 480.7898787
481.2695462 483.3906417 484.4541474 485.0850584 486.4590922
487.6082418 488.8852800 490.3928200 490.9689263 493.1591368
494.8025940 495.8404937 496.1990325 499.1919737 502.0301928
503.9525900 504.9873332 506.9622790 507.3557342 507.4340488
509.3973410 511.0269549 512.2206084 512.7048238 512.9451418
514.0290041 516.5199814 517.4208436 518.3531165 519.5969872
520.0228888 520.6295113 522.2844841 523.9072038 525.1785447
525.6305730 528.2182622 529.3814419 529.8420845 531.4100088
531.6373616 533.5314648 535.2216485 536.0963463 537.1764718
538.5080398 539.0022629 540.0674760 540.5643135 541.1956281
544.1783766 544.8201701 547.8430150 549.7687839 550.2114612
550.9961374 552.4787597 553.9689447 555.0631759 557.3608838
558.2531328 558.5383764 559.1764273 560.8927648 562.0543372
564.0908444 564.3518505 565.7260401 566.5600131 568.4468704
568.9067798 570.4302663 571.4263996 573.1417147 575.6503388
576.7815760 578.1726466 579.2454602 580.0014946 580.5518108
581.5465115 582.0381442 582.8124887 583.8852520 585.0032527
585.9842947 586.9257279 588.0817680 590.6667450 590.9853842
591.3003143 592.1267637 594.0346526 594.3939996 594.7728946
597.4198756 599.1210345 600.4287141 601.7861826 603.4190805
604.0491288 606.5431898 607.7674198 608.5359877 610.3901940
611.3276062 612.3625053 613.8490773 615.1494888 616.8609935
618.0922992 619.9800267 621.4652388 625.8862536 626.4600647
627.1501187 628.1656940 629.0431614 630.4834325 632.4384560
634.2618589 636.7771040 637.4546553 639.8810334 640.7629323
640.8855356 643.1608579 644.2481823 646.2733973 647.3185259
650.1110213 651.2208635 653.6629767 654.6488995 655.3207179
658.2017169 659.7960749 661.5569549 663.7615606 664.8569429
666.6276110 666.7517873 668.7548464 669.7885265 672.4869319
673.3247186 674.8145354 675.6143653 676.0500191 677.7736531
679.0194800 680.9129378 684.6340178 685.7267549 686.4022567
686.9857439 689.1992165 690.2388898 691.2256419 693.5788519
694.8601179 695.7505849 696.5971844 697.1135641 697.6607099
698.8305149 701.1002974 702.1599118 704.7715429 706.3470796
706.5872963 708.4491382 708.7599217 711.2346146 711.7675462
714.7264125 715.9347652 716.4616782 718.3310974 718.9636592
722.0648368 724.6763545 726.4356518 726.9035561 729.0089508
731.7489023 732.0064254 733.2940864 734.5330120 734.6136200
735.8547588 738.1634298 738.7796288 740.8611056 742.7878505
743.1808544 743.8877532 745.1756327 747.5526071 748.2852650
748.8122933 749.9357592 751.3686513 754.0348396 755.5453715
756.8321175 757.1406754 758.7162667 760.3985610 760.7151685
761.3041415 764.5514743 766.2782410 767.9900167 769.3871602
770.0385801 770.4075285 771.2813267 772.5277083 773.5172807
773.8462544 776.5726541 778.4582083 781.2471594 782.1255855
786.0133816 787.7847061 788.1557608 788.4962449 789.2936190
789.3068812 790.6456272 792.3001964 793.3288274 794.5693774
798.2334854 798.7098499 800.2482503 802.1390046 802.3926828
802.7181084 804.1435960 804.7634445 805.7064717 806.8830193
807.9177197 809.3286089 809.5906981 810.0307471 811.4724431
813.2629778 815.5648792 816.3003891 816.6579224 817.4599190
819.2940878 820.2512464 821.9199138 824.0397874 825.6260129
827.9431779 828.8006338 829.8048633 830.6412134 831.5393271
832.7391125 835.0099125 836.8733184 837.2186105 837.8797858
839.7654413 840.4481829 841.4657430 843.0924807 844.8632769
846.2764063 847.8599160 849.3402602 850.3741103 850.7992437
853.2172582 854.3981742 854.5872138 856.3893274 857.1235791
857.8954908 858.3652610 862.1690305 863.0069265 864.5955958
866.3958719 868.3835955 871.7120669 872.9494247 873.2992031
874.8047309 875.5112154 876.5570524 879.3009360 879.5440395
882.2170225 882.5182258 882.8121971 885.2117727 886.6780765
887.0649313 888.8749433 889.2047082 893.1198391 894.4373860
895.1941347 897.0436464 899.4367368 901.5830394 903.3310878
905.7574459 906.8489483 907.8695047 909.0584273 910.9453497
913.6607010 915.3333136 916.4844677 918.2509617 919.3771282
920.7134320 920.9004777 923.1730571 925.2776143 926.6227554
929.5379592 934.1760979 939.0835854 939.5088232 940.9812118
942.4901521 943.8403311 947.0738222 948.8689428 949.6551106
951.1872696 952.0568199 955.9968836 958.0341618 959.6906104
962.4083778 964.7331549 966.3167962 969.3017221 972.8706789
975.5978769 976.2422184 977.5984327 981.2053673 983.9329765
985.9894962 986.6644740 994.4351139 995.2434753 996.5311426
1000.6216429 1002.0997405 1003.4866345 1007.1108377 1008.9573947
1009.8315575 1011.5600066 1014.7148362 1022.4607266 1022.5326043
1024.2278568 1028.5260361 1029.8253593 1031.7750973 1035.6988049
1036.2350879 1038.7520628 1043.8096797 1046.9239871 1050.2318694
1051.3602037 1052.4291068 1057.2750449 1061.7043378 1066.6219245
1072.0641085 1077.1647484 1079.1975004 1084.1170537 1089.4504537
1090.6631357 1096.8469282 1106.5379896 1108.2712586 1116.2312518
1120.2453759 1139.6064989 1149.7674258 1158.7544813 1187.7431813
1201.4335798 1204.4981333 1229.4056459 1246.3363433
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404140326584161007.eigenfacs
Openam> file on opening on unit 10:
2404140326584161007.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404140326584161007.atom
Openam> file on opening on unit 11:
2404140326584161007.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 = 193
First residue number = 96
Last residue number = 288
Number of atoms found = 208
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: 9.9349E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9451E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9822E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0015E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0025E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0034E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.0503E-06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.0394E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.0924E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.1269E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1102
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1292
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1799
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2091
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2403
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2807
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3043
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3593
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4161
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4196
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4773
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5136
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5241
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6155
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6566
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7618
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7841
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8134
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9058
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9568
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9915
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.008
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.041
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.361
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.391
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.415
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.638
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.691
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.724
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.764
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.811
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.883
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.971
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.139
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.229
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.339
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.408
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.448
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.559
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.782
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.945
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 3.080
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.122
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.168
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.195
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.299
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.433
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.538
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.640
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.713
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.802
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.835
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 4.082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 4.176
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.187
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.297
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.360
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.430
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.522
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.569
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.737
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.990
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 5.089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 5.120
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.193
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.299
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.391
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.449
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.501
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.605
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.881
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.983
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 6.063
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.121
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.131
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.213
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.325
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.476
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.604
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.641
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.824
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.851
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.880
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 624 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 : 0.000002
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= 0.400 for 208 C-alpha atoms.
Bfactors> = 36423.024 +/- ******
Bfactors> = 18.653 +/- 7.36
Bfactors> Shiftng-fct= -36404.371
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404140326584161007 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=0
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=100
2404140326584161007.eigenfacs
2404140326584161007.atom
making animated gifs
11 models are in 2404140326584161007.7.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 2404140326584161007.7.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 2404140326584161007.7.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 2404140326584161007 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=0
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=100
2404140326584161007.eigenfacs
2404140326584161007.atom
making animated gifs
11 models are in 2404140326584161007.8.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 2404140326584161007.8.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 2404140326584161007.8.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 2404140326584161007 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=0
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=100
2404140326584161007.eigenfacs
2404140326584161007.atom
making animated gifs
11 models are in 2404140326584161007.9.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 2404140326584161007.9.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 2404140326584161007.9.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 2404140326584161007 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=0
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=100
2404140326584161007.eigenfacs
2404140326584161007.atom
making animated gifs
11 models are in 2404140326584161007.10.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 2404140326584161007.10.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 2404140326584161007.10.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 2404140326584161007 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=0
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=100
2404140326584161007.eigenfacs
2404140326584161007.atom
making animated gifs
11 models are in 2404140326584161007.11.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 2404140326584161007.11.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 2404140326584161007.11.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 2404140326584161007 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=0
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=100
2404140326584161007.eigenfacs
2404140326584161007.atom
making animated gifs
11 models are in 2404140326584161007.12.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 2404140326584161007.12.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 2404140326584161007.12.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 2404140326584161007 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=0
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=100
2404140326584161007.eigenfacs
2404140326584161007.atom
making animated gifs
11 models are in 2404140326584161007.13.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 2404140326584161007.13.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 2404140326584161007.13.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 2404140326584161007 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=0
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=100
2404140326584161007.eigenfacs
2404140326584161007.atom
making animated gifs
11 models are in 2404140326584161007.14.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 2404140326584161007.14.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 2404140326584161007.14.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 2404140326584161007 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=0
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=100
2404140326584161007.eigenfacs
2404140326584161007.atom
making animated gifs
11 models are in 2404140326584161007.15.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 2404140326584161007.15.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 2404140326584161007.15.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 2404140326584161007 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=-20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=0
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=20
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=40
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=60
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=80
2404140326584161007.eigenfacs
2404140326584161007.atom
calculating perturbed structure for DQ=100
2404140326584161007.eigenfacs
2404140326584161007.atom
making animated gifs
11 models are in 2404140326584161007.16.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 2404140326584161007.16.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 2404140326584161007.16.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
2404140326584161007.10.pdb
2404140326584161007.11.pdb
2404140326584161007.12.pdb
2404140326584161007.13.pdb
2404140326584161007.14.pdb
2404140326584161007.15.pdb
2404140326584161007.16.pdb
2404140326584161007.7.pdb
2404140326584161007.8.pdb
2404140326584161007.9.pdb
STDERR:
real 0m3.381s
user 0m3.377s
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: 2404140326584161007.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
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
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
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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