*** ***
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 = 2402181439293306046.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 2402181439293306046.atom to be opened.
Openam> File opened: 2402181439293306046.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 = 188
First residue number = 96
Last residue number = 290
Number of atoms found = 199
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 1.820075 +/- 7.597594 From: -16.942000 To: 20.028000
= -15.613467 +/- 10.288629 From: -37.068000 To: 4.885000
= 11.895739 +/- 9.359768 From: -7.801000 To: 32.625000
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 5.8089 % Filled.
Pdbmat> 10369 non-zero elements.
Pdbmat> 1020 atom-atom interactions.
Pdbmat> Number per atom= 10.25 +/- 3.31
Maximum number = 19
Minimum number = 4
Pdbmat> Matrix trace = 20400.0
Pdbmat> Larger element = 74.9138
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 199 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) = 597
Diagstd> Number of non-zero elements 10369
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 20400.0000006
%Diagstd-Wn: Nb on non-zero elements there: 597
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 597 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 20400.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0011407 0.0593337 0.0968805 0.1090584
0.1169517 0.1452322 0.1519593 0.1774669 0.2272870
0.2435293 0.3708025 0.3965511 0.4331515 0.4477400
0.5087788 0.5311644 0.5871050 0.6266473 0.6836543
0.7320955 0.7545413 0.7891944 0.8346272 0.8535584
0.9088874 0.9266040 0.9682621 1.0338194 1.1160382
1.1602310 1.2076202 1.2770268 1.3080882 1.4210240
1.4828401 1.5315658 1.6886295 1.7667394 1.7785739
1.8232589 1.8833796 1.9955444 2.0342081 2.0542049
2.1080881 2.2096750 2.3060997 2.3758517 2.4616201
2.5633428 2.5881149 2.7092170 2.7826402 2.8594901
2.9594883 3.1087111 3.1356343 3.2733434 3.3314314
3.5464677 3.6132139 3.7118132 3.7584347 3.8401586
3.9120347 4.0022964 4.1454670 4.1846705 4.2497003
4.3234464 4.3723405 4.5056106 4.6876207 4.8393494
4.9198965 5.0091330 5.0797331 5.2184441 5.2390761
5.3333574 5.3886262 5.4839262 5.5592018 5.6066792
5.6448396 5.8058979 5.9909836 6.1391754 6.2441520
6.2732726 6.3981561 6.4389970 6.6061566 6.7184424
6.7687793 6.8131030 6.8804853 6.9165201 7.0263844
7.1040445 7.2139012 7.3158824 7.4016527 7.7281110
7.7706990 7.8528718 7.9039750 7.9894142 8.1689807
8.2371881 8.3206202 8.5294693 8.6246486 8.6861522
8.7598735 8.8717863 8.8847964 8.9977214 9.0391264
9.2029158 9.3249012 9.4057801 9.5820420 9.7063287
9.7690611 9.9999241 10.0491312 10.1649710 10.2642405
10.3559087 10.4818307 10.5248714 10.5877159 10.6910090
10.8184014 11.0278030 11.1083967 11.1979256 11.2522161
11.4226416 11.4695689 11.6356239 11.7687954 11.7845314
11.9657194 12.0018850 12.1053827 12.2221462 12.2723306
12.3896901 12.4565602 12.5831177 12.6710152 12.7984644
12.9767927 13.1276439 13.2056783 13.3318349 13.4211560
13.6256284 13.7244501 13.8626586 14.0068764 14.1554055
14.2808136 14.3377427 14.4199130 14.4878666 14.6606314
14.7476378 14.9438997 15.0837360 15.1935638 15.2953024
15.3890094 15.4596020 15.6668654 15.7709845 15.8566215
15.9921210 16.0520529 16.1053672 16.1774095 16.3401478
16.5707084 16.7236431 16.7651480 16.9090351 16.9820447
17.1335534 17.1428200 17.2218122 17.3867382 17.4360044
17.6357745 17.6917406 17.8794860 17.9486732 18.0930563
18.1979277 18.4925122 18.5521540 18.6058481 18.8289520
18.8778917 19.0127796 19.0492247 19.1600161 19.4019583
19.5007091 19.7486808 19.9078033 19.9303391 20.2585859
20.3303785 20.4125590 20.4499467 20.5983506 20.6853814
20.7427182 20.9319464 20.9979241 21.0773837 21.1656463
21.3385705 21.4890418 21.6022590 21.6483756 21.8269899
21.9687523 22.1507119 22.2884360 22.3494323 22.3736232
22.5791129 22.6487136 22.9635352 23.0014484 23.1305093
23.1881916 23.3244321 23.4728604 23.5508561 23.6375998
23.7008533 23.8575037 23.9423278 24.0975525 24.1174822
24.2563832 24.3044960 24.3693115 24.4679812 24.6280639
24.6683496 24.7995138 24.8468064 25.0259639 25.1265992
25.2905636 25.3816092 25.5119683 25.5441203 25.6723362
25.7018876 25.8037370 25.8970482 25.9513377 26.2320496
26.3698858 26.4149212 26.5116668 26.5522979 26.7040666
26.8193598 26.8622561 26.9668617 27.0930115 27.2077711
27.2865785 27.3929914 27.4433624 27.5942578 27.9177097
27.9593964 28.0325436 28.0996068 28.1694849 28.3141201
28.4232061 28.5707225 28.7357569 28.7835686 28.8560734
29.1088494 29.2500447 29.2781456 29.6045528 29.6695703
29.7326733 29.8318626 29.9311900 30.1114215 30.1692884
30.3366097 30.4164159 30.4477778 30.4589138 30.8482371
30.9339465 31.2163717 31.2359223 31.3735056 31.5138800
31.5992342 31.6271502 31.7054111 31.8779422 32.0055261
32.1525543 32.2563575 32.3826727 32.4766077 32.5436384
32.6643640 32.8460251 33.0630832 33.2830111 33.4034847
33.4584335 33.5127428 33.9955610 34.2553969 34.3672837
34.4730351 34.4753790 34.7154973 34.8720880 35.0267793
35.0636373 35.2357514 35.3196435 35.4490780 35.4747385
35.7138828 35.8009479 35.9825757 36.0790512 36.1795649
36.3719311 36.4352450 36.5828603 36.7953308 36.9143681
37.1850421 37.3444602 37.4697765 37.6583161 37.7961728
37.8838441 37.9243185 37.9674786 38.1429729 38.3491365
38.4826121 38.7587603 38.8904680 38.9563647 39.1860536
39.4308674 39.6983826 39.7273397 39.9118781 40.0194421
40.1943586 40.5532109 40.5948679 40.8064124 41.0049236
41.2413634 41.3897517 41.5506464 41.7616922 41.8539871
42.0171147 42.2496184 42.5257094 42.7706065 42.9177875
42.9850975 43.2934005 43.4314110 43.6161905 43.7052356
43.8408434 44.2115365 44.3622548 44.5555003 44.6361478
44.8165421 44.9077735 45.2317080 45.3300179 45.4585656
45.5823509 45.9128202 45.9890822 46.1177793 46.1498987
46.4650236 46.7068696 46.7586405 46.8685118 47.0083087
47.2981686 47.4963499 47.6951112 47.8040087 47.8664253
48.0126570 48.2824470 48.4303996 48.8734968 48.9774326
49.1740364 49.3524004 49.4956112 49.9926174 50.0657046
50.2069822 50.3504652 50.5394098 50.7324463 50.9844273
51.0553861 51.2632653 51.5211906 51.6520076 51.7697035
51.8986506 52.0140279 52.2546382 52.4002884 52.6871671
52.7746055 53.1243327 53.2450684 53.2925827 53.5628331
53.6259760 53.9305583 54.0619407 54.2973997 54.3973736
54.5421256 54.7805295 54.8410036 54.9996569 55.0287367
55.5706681 55.6138608 55.6742887 55.8371047 55.8570448
56.2710645 56.3267527 56.7709003 56.8937535 57.0587714
57.2812025 57.4108410 57.5670847 57.9848387 58.1791566
58.4057578 58.4742875 58.6731728 58.7351846 59.0849922
59.3932191 59.6987958 59.7352130 59.9868921 60.3635411
60.7164399 60.9275198 61.1194707 61.2535609 61.5791398
61.8837179 62.0327604 62.2640279 62.3838003 62.4501451
62.9806794 63.3092374 63.3883408 63.5728245 63.9326413
64.0475860 64.4321369 64.5659880 64.9670079 64.9920200
65.4031466 65.6014460 65.9139950 66.0176468 66.1311372
66.3907399 66.9817417 67.5853953 67.7191282 67.9343958
68.4782984 68.6174153 68.7375888 69.2134895 69.3648478
69.5914385 69.6126392 70.0562128 70.3009092 70.9370498
71.0493514 71.2330739 71.5977913 72.0779653 72.3634517
72.8116802 73.0553084 73.4465547 73.6857022 74.2202021
74.2909203 74.5152760 75.0212677 75.1938283 75.6414686
76.0836584 76.3821705 76.6718456 76.8185295 77.5723201
77.7212914 78.0175268 78.7982666 79.4927082 79.6953629
79.9600383 80.3703217 81.3678935 81.5497797 81.8713584
82.2096796 82.7970846 83.2013567 83.8870345 84.5719091
84.9340191 85.3906596 85.6683122 86.2994014 86.5147517
87.2139514 87.7041999 88.1002515 88.4654366 89.2010790
90.1105030 90.8562041 91.2396493 92.0254189 92.3289360
92.6366928 94.5419472 94.8347969 95.5796459 96.2595264
96.8754676 97.1687024 97.9150438 98.6634229 99.9947558
100.6891590 101.3649476 104.7710416 105.8974036 106.5152965
107.5172644 115.9005058
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034253 0.0034282 0.0034320 0.0034343 0.0034360
0.0034390 3.6675808 26.4512396 33.7997541 35.8612003
37.1362907 41.3834496 42.3310380 45.7460862 51.7705300
53.5884113 66.1251439 68.3824847 71.4685870 72.6621437
77.4568404 79.1425019 83.2057167 85.9620725 89.7870162
92.9135673 94.3271634 96.4688872 99.2068237 100.3256286
103.5262142 104.5303417 106.8542370 110.4123400 114.7188589
116.9681221 119.3329764 122.7143337 124.1977676 129.4481909
132.2337876 134.3888094 141.1115175 144.3382825 144.8209003
146.6288578 149.0267431 153.4002201 154.8791548 155.6385426
157.6665858 161.4207951 164.9051871 167.3805331 170.3749716
173.8595801 174.6976463 178.7381152 181.1439395 183.6282857
186.8114937 191.4632664 192.2905697 196.4676552 198.2032257
204.4999858 206.4154108 209.2128394 210.5226293 212.7991350
214.7813804 217.2450563 221.0965736 222.1395635 223.8589343
225.7929189 227.0660835 230.5006257 235.1102217 238.8849398
240.8647594 243.0393307 244.7460711 248.0651734 248.5550753
250.7815750 252.0776304 254.2969094 256.0362760 257.1272674
258.0008179 261.6555652 265.7934945 269.0607200 271.3513662
271.9833750 274.6772525 275.5525227 279.1063461 281.4683583
282.5208191 283.4443184 284.8425183 285.5874398 287.8466860
289.4330471 291.6623535 293.7166994 295.4334262 301.8783423
302.7089933 304.3053119 305.2938530 306.9394765 310.3696270
311.6626588 313.2370542 317.1438433 318.9084202 320.0434905
321.3987597 323.4452786 323.6823507 325.7328438 326.4814488
329.4260990 331.6021976 333.0371568 336.1431881 338.3161879
339.4077014 343.3947344 344.2385780 346.2169704 347.9034131
349.4534931 351.5716526 352.2927278 353.3429411 355.0623535
357.1715228 360.6116726 361.9269891 363.3825500 364.2623735
367.0105561 367.7636722 370.4163242 372.5300292 372.7790002
375.6338211 376.2010565 377.8196514 379.6374234 380.4160251
382.2306444 383.2607504 385.2027775 386.5458242 388.4849627
391.1820904 393.4492068 394.6168610 396.4973091 397.8233253
400.8423047 402.2932606 404.3137802 406.4114435 408.5605574
410.3663635 411.1834927 412.3600659 413.3305444 415.7876815
417.0196419 419.7853256 421.7448045 423.2774257 424.6922284
425.9911857 426.9671230 429.8197189 431.2456056 432.4148600
434.2584858 435.0714365 435.7933464 436.7669517 438.9583058
442.0443236 444.0795006 444.6302189 446.5341645 447.4971458
449.4889317 449.6104663 450.6451533 452.7978303 453.4388894
456.0290924 456.7521095 459.1692489 460.0568017 461.9034937
463.2402078 466.9745773 467.7270110 468.4033748 471.2033342
471.8153057 473.4979330 473.9515331 475.3278004 478.3194752
479.5351895 482.5744510 484.5146924 484.7888516 488.7647128
489.6299924 490.6185974 491.0677011 492.8463033 493.8863766
494.5703922 496.8211630 497.6035392 498.5441570 499.5869061
501.6235771 503.3890979 504.7134339 505.2518796 507.3319391
508.9767874 511.0802803 512.6666625 513.3676857 513.6454439
515.9988308 516.7935085 520.3728801 520.8022745 522.2613397
522.9121344 524.4460508 526.1120973 526.9854563 527.9550743
528.6609982 530.4052084 531.3472856 533.0669387 533.2873277
534.8208161 535.3509651 536.0643296 537.1484776 538.9027699
539.3433493 540.7753202 541.2907033 543.2386820 544.3298323
546.1029647 547.0850622 548.4881677 548.8336812 550.2093627
550.5259437 551.6156553 552.6121291 553.1910627 556.1749090
557.6342042 558.1101747 559.1312903 559.5595812 561.1564790
562.3665538 562.8161137 563.9108930 565.2283298 566.4241513
567.2438828 568.3488831 568.8711913 570.4329965 573.7664815
574.1946954 574.9453069 575.6326264 576.3479243 577.8256485
578.9376749 580.4380730 582.1120648 582.5961344 583.3294421
585.8788227 587.2980345 587.5800791 590.8463171 591.4947695
592.1234485 593.1102988 594.0968805 595.8828818 596.4551784
598.1068859 598.8930861 599.2017614 599.3113277 603.1293399
603.9666320 606.7174583 606.9074198 608.2425588 609.6017691
610.4267528 610.6963308 611.4514439 613.1128517 614.3385457
615.7480146 616.7411727 617.9475657 618.8431808 619.4814879
620.6294555 622.3528614 624.4058387 626.4790977 627.6118980
628.1278974 628.6374749 633.1496725 635.5647207 636.6018325
637.5805220 637.6021967 639.8187691 641.2601557 642.6808851
643.0189365 644.5951733 645.3620682 646.5435036 646.7774676
648.9538521 649.7443974 651.3904756 652.2631364 653.1710842
654.9052319 655.4749928 656.8014597 658.7060252 659.7706619
662.1851221 663.6030504 664.7155397 666.3857911 667.6044043
668.3782370 668.7351832 669.1156050 670.6602240 672.4702489
673.6395112 676.0521824 677.1998680 677.7733551 679.7685137
681.8886247 684.1978208 684.4473122 686.0351417 686.9589647
688.4586037 691.5250291 691.8801115 693.6805015 695.3657309
697.3676339 698.6210877 699.9776485 701.7530754 702.5280970
703.8958314 705.8406651 708.1431587 710.1792597 711.4001342
711.9577767 714.5064109 715.6443546 717.1650977 717.8967928
719.0096687 722.0430377 723.2727222 724.8463269 725.5020333
726.9665915 727.7061449 730.3260205 731.1192609 732.1551879
733.1513529 735.8042047 736.4150434 737.4447254 737.7014826
740.2158176 742.1396941 742.5508819 743.4227756 744.5306715
746.8225840 748.3855577 749.9498334 750.8054887 751.2954836
752.4422103 754.5532892 755.7084987 759.1576748 759.9644693
761.4882551 762.8680402 763.9740836 767.8001944 768.3612358
769.4445703 770.5432563 771.9876687 773.4605762 775.3790329
775.9184213 777.4964469 779.4499360 780.4388557 781.3275161
782.2999693 783.1690632 784.9783931 786.0716234 788.2204610
788.8742460 791.4837893 792.3826814 792.7361522 794.7436204
795.2119269 797.4670326 798.4378124 800.1746641 800.9109774
801.9758856 803.7266950 804.1702033 805.3325828 805.5454551
809.5023042 809.8168392 810.2566775 811.4405851 811.5854600
814.5876954 814.9906707 818.1975429 819.0823616 820.2693578
821.8666227 822.7961189 823.9149794 826.8990770 828.2834634
829.8949310 830.3816619 831.7926282 832.2320739 834.7066460
836.8810085 839.0311131 839.2869849 841.0531875 843.6894818
846.1520867 847.6216290 848.9557859 849.8865394 852.1422317
854.2470332 855.2751110 856.8679247 857.6916740 858.1476277
861.7850400 864.0299987 864.5696228 865.8268189 868.2736149
869.0538004 871.6588576 872.5637788 875.2693348 875.4378062
878.2023642 879.5326911 881.6254076 882.3183271 883.0763942
884.8079876 888.7374851 892.7332478 893.6160484 895.0352479
898.6110620 899.5233838 900.3107319 903.4219809 904.4092576
905.8852472 906.0232237 908.9052418 910.4911972 914.6013573
915.3250315 916.5077107 918.8510010 921.9270113 923.7509910
926.6074904 928.1564126 930.6384558 932.1523389 935.5270439
935.9726304 937.3848658 940.5621101 941.6432086 944.4419218
947.1984392 949.0547738 950.8526888 951.7618108 956.4200476
957.3379702 959.1606863 963.9480124 968.1862861 969.4196231
971.0280531 973.5160893 979.5391912 980.6333891 982.5649736
984.5930325 988.1043305 990.5136945 994.5868234 998.6385974
1000.7742402 1003.4609219 1005.0910035 1008.7862917 1010.0441630
1014.1174650 1016.9637571 1019.2573559 1021.3676372 1025.6054835
1030.8203585 1035.0767999 1037.2586949 1041.7156335 1043.4321061
1045.1696768 1055.8629520 1057.4969888 1061.6417491 1065.4109120
1068.8141285 1070.4305165 1074.5335785 1078.6321713 1085.8851457
1089.6490311 1093.2995777 1111.5164926 1117.4753096 1120.7307051
1125.9896102 1169.0630818
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402181439293306046.eigenfacs
Openam> file on opening on unit 10:
2402181439293306046.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402181439293306046.atom
Openam> file on opening on unit 11:
2402181439293306046.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 = 188
First residue number = 96
Last residue number = 290
Number of atoms found = 199
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: 9.9494E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9663E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9883E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0012E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0029E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.1407E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.9334E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 9.6881E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1091
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1170
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1520
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2273
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2435
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3708
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3966
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4332
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4477
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5312
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6266
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6837
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7321
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7545
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7892
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8346
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8536
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9266
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9683
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.116
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.160
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.208
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.308
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.421
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.483
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.532
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.689
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.767
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.779
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.823
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.883
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.996
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 2.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.054
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.108
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.210
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.306
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.563
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.588
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.783
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.859
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.959
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.109
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.136
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.273
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.331
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.546
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.712
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.758
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.840
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.912
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 4.002
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 4.145
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.185
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.250
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.323
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.372
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.506
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.688
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.839
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.920
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 5.009
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 5.080
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 5.218
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 5.239
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.333
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.484
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.559
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.607
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.645
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.806
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.991
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 6.139
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 6.244
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.273
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.398
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.439
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.606
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.769
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.813
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.880
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 7.026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 7.104
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 597 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 : 0.001141
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= 0.064 for 199 C-alpha atoms.
Bfactors> = 78.192 +/- 517.55
Bfactors> = 21.881 +/- 10.26
Bfactors> Shiftng-fct= -56.310
Bfactors> Scaling-fct= 0.020
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402181439293306046 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=0
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=100
2402181439293306046.eigenfacs
2402181439293306046.atom
making animated gifs
11 models are in 2402181439293306046.7.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 2402181439293306046.7.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 2402181439293306046.7.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 2402181439293306046 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=0
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=100
2402181439293306046.eigenfacs
2402181439293306046.atom
making animated gifs
11 models are in 2402181439293306046.8.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 2402181439293306046.8.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 2402181439293306046.8.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 2402181439293306046 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=0
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=100
2402181439293306046.eigenfacs
2402181439293306046.atom
making animated gifs
11 models are in 2402181439293306046.9.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 2402181439293306046.9.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 2402181439293306046.9.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 2402181439293306046 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=0
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=100
2402181439293306046.eigenfacs
2402181439293306046.atom
making animated gifs
11 models are in 2402181439293306046.10.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 2402181439293306046.10.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 2402181439293306046.10.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 2402181439293306046 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=0
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=100
2402181439293306046.eigenfacs
2402181439293306046.atom
making animated gifs
11 models are in 2402181439293306046.11.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 2402181439293306046.11.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 2402181439293306046.11.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 2402181439293306046 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=0
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=100
2402181439293306046.eigenfacs
2402181439293306046.atom
making animated gifs
11 models are in 2402181439293306046.12.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 2402181439293306046.12.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 2402181439293306046.12.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 2402181439293306046 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=0
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=100
2402181439293306046.eigenfacs
2402181439293306046.atom
making animated gifs
11 models are in 2402181439293306046.13.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 2402181439293306046.13.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 2402181439293306046.13.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 2402181439293306046 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=0
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=100
2402181439293306046.eigenfacs
2402181439293306046.atom
making animated gifs
11 models are in 2402181439293306046.14.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 2402181439293306046.14.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 2402181439293306046.14.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 2402181439293306046 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=0
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=100
2402181439293306046.eigenfacs
2402181439293306046.atom
making animated gifs
11 models are in 2402181439293306046.15.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 2402181439293306046.15.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 2402181439293306046.15.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 2402181439293306046 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=-20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=0
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=20
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=40
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=60
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=80
2402181439293306046.eigenfacs
2402181439293306046.atom
calculating perturbed structure for DQ=100
2402181439293306046.eigenfacs
2402181439293306046.atom
making animated gifs
11 models are in 2402181439293306046.16.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 2402181439293306046.16.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 2402181439293306046.16.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
2402181439293306046.10.pdb
2402181439293306046.11.pdb
2402181439293306046.12.pdb
2402181439293306046.13.pdb
2402181439293306046.14.pdb
2402181439293306046.15.pdb
2402181439293306046.16.pdb
2402181439293306046.7.pdb
2402181439293306046.8.pdb
2402181439293306046.9.pdb
STDERR:
real 0m2.996s
user 0m2.992s
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: 2402181439293306046.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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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