*** ***
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 = 2402161623413072505.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 2402161623413072505.atom to be opened.
Openam> File opened: 2402161623413072505.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 179
First residue number = 97
Last residue number = 288
Number of atoms found = 201
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 3.374716 +/- 7.110826 From: -12.383000 To: 20.296000
= 15.443682 +/- 10.184396 From: -5.060000 To: 37.108000
= -12.123896 +/- 9.280263 From: -32.704000 To: 7.847000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 6.3134 % Filled.
Pdbmat> 11497 non-zero elements.
Pdbmat> 1146 atom-atom interactions.
Pdbmat> Number per atom= 11.40 +/- 4.14
Maximum number = 23
Minimum number = 3
Pdbmat> Matrix trace = 22920.0
Pdbmat> Larger element = 82.4733
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 201 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 603
Diagstd> Number of non-zero elements 11497
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 22920.0000006
%Diagstd-Wn: Nb on non-zero elements there: 603
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 603 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 22920.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0620064 0.0769645 0.1243504 0.1352732
0.1822292 0.2013874 0.2559828 0.2865300 0.3162858
0.3363288 0.4239469 0.4477808 0.4815040 0.5275307
0.6247024 0.6751332 0.7055321 0.7483707 0.8390238
0.8728480 0.9271668 0.9909799 1.0123005 1.0593919
1.0874236 1.1105440 1.2127212 1.3217108 1.3739227
1.4411710 1.4769369 1.5231279 1.6198778 1.6550865
1.7697215 1.8864821 2.0008127 2.0607217 2.1647760
2.2054932 2.2466114 2.2847142 2.4217172 2.4615738
2.6656812 2.7354921 2.7853510 2.8527029 2.9514633
3.1250219 3.1935142 3.2314761 3.3530575 3.5417227
3.6177522 3.6634500 3.7891256 3.9196623 3.9739656
4.0937633 4.1193163 4.1382892 4.2963359 4.3171255
4.3919561 4.4192166 4.5872661 4.6894644 4.7576165
4.8708890 4.9629119 5.1368477 5.2086351 5.4183914
5.4218513 5.5505533 5.6085422 5.7117840 5.7459404
5.9276534 5.9693322 5.9952884 6.2627543 6.2772296
6.4116944 6.4859361 6.6478433 6.7000495 6.8394073
6.9978854 7.1279901 7.1513051 7.2892001 7.3477254
7.4657253 7.5666398 7.6285696 7.7228400 7.9496496
8.1599372 8.3732205 8.5141361 8.6967720 8.7510650
8.8602334 8.9601980 9.0639375 9.1429875 9.2181911
9.5251323 9.5800574 9.6773018 9.8682380 10.0378620
10.1331756 10.3015035 10.3567509 10.5319796 10.6864921
10.8513709 10.9082756 11.0200152 11.0767274 11.1225849
11.1696648 11.2200655 11.4252032 11.5526008 11.6626798
11.7550460 11.8968112 12.0388189 12.1156917 12.2857684
12.3004569 12.4607063 12.5529018 12.6118387 12.6845316
12.9532834 13.0336940 13.1647631 13.2901035 13.3245187
13.4270584 13.6606622 13.6819004 13.8014374 13.9499488
14.1557054 14.4845113 14.5127222 14.5679061 14.6384175
14.7057425 14.8006892 14.9815981 15.2002672 15.2769311
15.5087498 15.6317458 15.8248558 15.8407743 16.0964126
16.1059224 16.1761554 16.3242532 16.3461741 16.5897947
16.6241267 16.6347916 16.8067952 16.8819689 16.9196398
17.1334421 17.2173602 17.3397492 17.5332797 17.5845963
17.6022667 17.8424828 17.8704649 18.2379056 18.2442144
18.3317899 18.5057375 18.6038986 18.8859448 18.9982996
19.1127897 19.3749450 19.4500043 19.5216070 19.5545150
19.7033869 19.8835279 19.9665669 20.2114700 20.3068090
20.4569614 20.5038942 20.6572921 20.6835127 21.0177063
21.0706581 21.1425609 21.3102952 21.4921099 21.5607987
21.6108377 21.7047409 21.7938048 21.8073679 21.8904330
22.0939047 22.1889477 22.2184298 22.4616052 22.6238635
22.6318879 22.8187796 22.8964972 22.9881082 23.0409197
23.3667418 23.4472558 23.5746580 23.8376241 23.9266563
23.9796243 24.0747989 24.2201740 24.4532193 24.4809019
24.6468241 24.7522393 24.9506675 25.0722185 25.2300916
25.2463800 25.3665431 25.5325822 25.6441162 25.7348994
25.8132579 25.9554240 26.0157170 26.2512000 26.3505586
26.5992491 26.7302194 26.7746638 26.8950294 26.9614372
27.0440654 27.0824352 27.3394096 27.4937669 27.5763355
27.6827340 27.7667469 27.8119710 27.8458180 27.8719120
27.9027648 27.9568014 28.1089556 28.2200610 28.2514481
28.4097212 28.5061922 28.5383187 28.5551581 28.6070950
28.6612818 28.6791447 28.8197401 28.9767839 29.1347306
29.3522143 29.4248557 29.5535856 29.7191190 29.8559019
29.8628386 29.9262687 30.0892433 30.2439448 30.2913150
30.4584407 30.6383413 30.8864022 30.9637282 31.1210560
31.3565211 31.4631301 31.4862694 31.7393376 31.8984184
32.0477135 32.0913252 32.2973802 32.4526116 32.4923523
32.6686824 32.7698723 33.1522386 33.2563426 33.4992411
33.6443224 33.7663330 34.0135055 34.1506923 34.2988217
34.4500844 34.5682550 34.6833169 34.7662174 34.8317013
35.0839053 35.1314890 35.5049146 35.6922981 35.7831737
35.9063893 36.2500026 36.3942562 36.5541173 36.7252322
36.8517559 37.1194502 37.2492500 37.4052682 37.5132067
37.7631068 37.8180242 37.9801212 38.3984129 38.4286084
38.6018113 38.8898766 39.0888334 39.3135554 39.5498282
39.5975795 39.8745567 39.9765156 40.0506118 40.2210864
40.5979357 40.6917472 40.9312139 41.0038791 41.3614305
41.3833187 41.5725558 41.6326220 41.8142270 42.0683499
42.3073226 42.3695264 42.4326594 42.6558967 42.7445999
43.0657166 43.0830479 43.3161444 43.4387655 43.4660439
43.7811388 43.8422239 43.9299575 43.9868111 44.0330856
44.5385578 44.7792646 44.8307789 44.9726215 45.0047769
45.1717735 45.4476335 45.5973566 45.7335745 46.2015891
46.2693113 46.4979919 46.5525862 46.9267924 47.0996444
47.2353268 47.3589748 47.5979964 47.6710332 47.8415694
48.1836965 48.2841057 48.5686203 48.6165547 48.7123050
48.9452151 49.3051786 49.4915149 49.5560936 49.9203034
50.1115310 50.3035981 50.6157627 50.7638266 50.9297164
50.9584302 50.9813821 51.3053085 51.6789077 52.0332051
52.3767415 52.5429959 52.7589039 52.8890494 53.0783159
53.1767243 53.4182539 53.4767814 53.5401236 53.7101135
53.8757335 54.1576449 54.2740798 54.7330098 54.7579086
54.9125015 55.2144486 55.4724731 55.6248049 55.6947078
55.8346731 55.9548549 56.3323044 56.5023278 56.5806489
56.6735799 56.9584675 57.2002577 57.3053009 57.3588870
57.7721981 58.1357283 58.2723299 58.4220066 58.4934782
58.5220337 58.8245186 58.9692571 59.3345576 59.6358853
59.9416060 59.9544353 60.2114496 60.4228205 60.5070022
60.5800432 60.9527185 60.9931429 61.2744257 61.6370073
61.6475269 62.1415261 62.2453245 62.2489514 62.3658534
62.4965921 62.8146302 62.9712165 63.1063317 63.3969348
63.5191157 63.8869639 64.1609969 64.3053874 64.7755475
64.9668851 65.0090476 65.0133933 65.5068474 65.8079694
66.0466548 66.3894004 66.4116701 66.6143626 66.8328992
66.9459423 67.0615496 67.4266650 67.5543671 67.7031684
67.7334512 68.3308361 68.6949006 69.3256512 69.3673423
69.7314239 70.1707954 70.3063293 70.4453376 71.0836494
71.5999960 71.8853127 72.2483861 72.3926895 72.8364533
73.0515562 73.2358739 73.7744726 73.8188969 74.3567730
74.6463755 74.9641095 75.0913014 75.3782136 75.4141985
75.4567821 75.7746203 75.9624689 76.4053428 76.6683539
76.7180712 76.8838330 77.3011810 77.7381183 78.2767365
78.4884016 78.6373743 79.4943542 79.5771110 79.7490753
80.3129096 80.5703444 80.9519762 80.9867341 81.1481304
81.2112172 81.6471207 82.2240193 82.4807576 82.7703695
83.2904579 83.4671917 83.8560238 83.9814711 84.9833468
85.0573746 85.5552774 85.6043823 85.9160462 86.1558580
86.6000571 87.1878974 88.1152545 88.2524858 89.2124824
89.4426390 90.2536453 90.8359568 91.2877114 91.5771975
91.9306624 92.1894071 92.5740111 93.0715323 93.3164156
93.8823998 94.0404335 95.0177529 95.7688683 96.8500592
97.6652042 98.1177797 98.6728040 99.4351625 100.2514941
101.2252343 102.2783300 103.0286671 104.2216485 105.5619412
107.6358936 107.8748535 110.0217027 110.4583322 111.2724274
113.0612789 113.6490100 114.7641577 120.9561603 123.4973875
127.6845873 129.3894069 135.2758780
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034258 0.0034289 0.0034322 0.0034350 0.0034432
0.0034455 27.0404231 30.1259404 38.2929503 39.9393642
46.3558249 48.7316870 54.9415152 58.1273208 61.0710152
62.9763228 70.7051429 72.6654608 75.3520751 78.8713245
85.8285712 89.2257114 91.2123531 93.9406763 99.4677818
101.4529275 104.5620832 108.1005005 109.2571868 111.7695748
113.2386407 114.4361292 119.5847402 124.8428012 127.2847662
130.3626052 131.9703149 134.0181046 138.2090245 139.7029664
144.4600462 149.1494408 153.6025739 155.8852239 159.7724016
161.2679800 162.7643404 164.1387867 168.9884399 170.3733690
177.2961811 179.6027633 181.2321512 183.4102283 186.5580406
191.9648937 194.0571747 195.2071652 198.8455072 204.3631362
206.5450018 207.8454000 211.3804310 214.9906659 216.4747923
219.7134505 220.3981018 220.9050786 225.0838807 225.6278034
227.5748563 228.2800310 232.5799372 235.1564542 236.8590560
239.6621188 241.9154261 246.1181409 247.8319230 252.7728751
252.8535656 255.8370382 257.1699837 259.5261761 260.3010023
264.3849195 265.3127694 265.8889687 271.7552653 272.0691429
274.9677042 276.5550616 279.9855807 281.0828095 283.9909579
287.2623391 289.9204328 290.3941981 293.1805905 294.3552171
296.7093855 298.7079698 299.9278802 301.7753761 306.1746804
310.1977830 314.2255863 316.8586556 320.2390741 321.2371286
323.2346136 325.0529292 326.9292143 328.3517565 329.6993820
335.1434897 336.1083768 337.8099385 341.1262096 344.0455070
345.6750739 348.5343514 349.4677034 352.4116736 354.9873394
357.7153560 358.6520608 360.4843184 361.4107073 362.1580509
362.9237175 363.7416024 367.0517051 369.0924523 370.8467321
372.3123534 374.5506589 376.7794606 377.9804929 380.6242391
380.8517025 383.3245289 384.7400041 385.6421404 386.7519365
390.8275888 392.0387911 394.0050653 395.8762630 396.3884990
397.9107932 401.3572902 401.6691645 403.4200147 405.5847226
408.5648853 413.2826788 413.6849506 414.4707125 415.4725585
416.4268835 417.7690381 420.3144797 423.3707910 424.4371016
427.6452729 429.3376963 431.9815134 432.1987270 435.6721792
435.8008586 436.7500219 438.7447591 439.0392418 442.2988256
442.7562505 442.8982481 445.1821420 446.1766392 446.6741677
449.4874717 450.5869014 452.1855558 454.7019966 455.3669240
455.5956600 458.6938567 459.0533978 463.7487609 463.8289631
464.9408613 467.1415305 468.3788346 471.9159310 473.3175915
474.7416353 477.9863777 478.9113517 479.7920669 480.1962948
482.0207382 484.2191956 485.2292567 488.1960163 489.3460895
491.1519170 491.7149992 493.5509315 493.8640672 497.8378818
498.4646106 499.3143819 501.2911224 503.4250325 504.2288635
504.8136400 505.9092068 506.9461260 507.1038468 508.0687182
510.4245075 511.5211951 511.8609072 514.6543825 516.5099196
516.6015107 518.7301453 519.6127554 520.6512275 521.2489412
524.9214991 525.8250737 527.2516904 530.1841789 531.1733602
531.7609815 532.8152106 534.4214852 536.9864183 537.2902835
539.1079832 540.2596440 542.4208376 543.7404755 545.4496835
545.6257239 546.9226674 548.7097152 549.9068735 550.8793814
551.7174120 553.2346135 553.8768073 556.3778870 557.4298144
560.0540839 561.4311982 561.8977500 563.1593407 563.8541736
564.7175293 565.1179950 567.7927543 569.3933670 570.2477196
571.3467614 572.2130805 572.6788762 573.0272433 573.2956692
573.6128861 574.1680488 575.7283754 576.8650860 577.1857993
578.8003247 579.7822092 580.1088252 580.2799499 580.8074250
581.3572395 581.5383742 582.9620859 584.5482586 586.1392225
588.3228486 589.0503944 590.3374977 591.9884669 593.3492227
593.4181476 594.0480379 595.6633959 597.1927115 597.6602110
599.3066729 601.0739482 603.5023167 604.2572970 605.7904785
608.0778957 609.1107202 609.3346617 611.7784990 613.3097310
614.7433014 615.1614420 617.1332248 618.6145159 618.9931701
620.6704788 621.6309871 625.2471342 626.2280591 628.5108283
629.8703620 631.0114358 633.3167538 634.5926478 635.9674386
637.3682498 638.4604638 639.5221520 640.2859925 640.8887143
643.2047535 643.6407894 647.0524958 648.7577159 649.5830863
650.7005114 653.8066016 655.1061916 656.5433868 658.0782771
659.2108897 661.6008394 662.7565777 664.1431025 665.1006547
667.3123134 667.7973605 669.2269988 672.9021524 673.1666769
674.6819970 677.1947195 678.9247403 680.8735150 682.9164612
683.3286027 685.7143124 686.5904356 687.2264359 688.6874658
691.9062538 692.7052020 694.7404615 695.3568743 698.3820295
698.5667941 700.1621711 700.6678041 702.1943273 704.3248619
706.3225170 706.8415738 707.3679949 709.2262772 709.9633148
712.6251068 712.7684870 714.6940669 715.7049440 715.9296308
718.5199108 719.0209890 719.7400537 720.2056423 720.5843740
724.7085003 726.6641904 727.0820495 728.2313687 728.4916648
729.8419990 732.0671469 733.2720194 734.3664940 738.1144996
738.6552650 740.4783737 740.9129522 743.8848525 745.2536202
746.3262935 747.3024851 749.1859363 749.7605105 751.1003930
753.7812622 754.5662499 756.7861291 757.1594888 757.9047354
759.7144749 762.5029853 763.9424691 764.4407198 767.2446848
768.7128058 770.1845553 772.5705923 773.6997494 774.9628950
775.1813238 775.3558766 777.8152109 780.6420535 783.3134243
785.8949865 787.1412933 788.7568832 789.7291355 791.1409193
791.8739766 793.6702917 794.1049631 794.5751248 795.8355133
797.0615847 799.1442248 800.0028142 803.3780206 803.5607332
804.6942428 806.9035942 808.7867813 809.8965155 810.4052491
811.4229166 812.2957242 815.0308338 816.2598792 816.8254149
817.4959385 819.5480631 821.2857226 822.0394860 822.4237399
825.3814916 827.9742662 828.9464419 830.0103632 830.5179121
830.7206097 832.8647301 833.8887383 836.4676209 838.5889120
840.7356582 840.8256248 842.6259344 844.1036484 844.6914502
845.2011310 847.7968922 848.0779791 850.0312751 852.5425274
852.6152765 856.0245844 856.7392185 856.7641787 857.5682920
858.4666898 860.6482381 861.7202955 862.6442823 864.6282286
865.4609992 867.9633854 869.8228892 870.8010816 873.9786558
875.2685073 875.5524790 875.5817426 878.8983110 880.9160551
882.5121496 884.7990618 884.9474481 886.2968764 887.7494886
888.4999542 889.2667878 891.6842998 892.5282989 893.5107399
893.7105458 897.6429980 900.0311277 904.1536904 904.4255198
906.7958981 909.6482323 910.5262947 911.4259882 915.5459343
918.8651476 920.6941072 923.0162677 923.9375893 926.7651097
928.1325764 929.3027329 932.7136598 932.9944405 936.3873698
938.2091041 940.2037377 941.0010239 942.7970189 943.0220335
943.2882407 945.2728075 946.4437686 949.1987216 950.8310375
951.1392811 952.1662716 954.7470934 957.4415980 960.7527485
962.0508391 962.9634029 968.1963100 968.7001441 969.7462485
973.1683146 974.7267624 977.0324945 977.2422233 978.2154987
978.5956705 981.2184758 984.6788989 986.2149936 987.9449081
991.0439283 992.0948175 994.4029709 995.1464983 1001.0648109
1001.5007229 1004.4277022 1004.7159090 1006.5432057 1007.9469759
1010.5420029 1013.9659764 1019.3441393 1020.1375969 1025.6710374
1026.9932343 1031.6387727 1034.9614600 1037.5318557 1039.1756331
1041.1791796 1042.6433826 1044.8160152 1047.6198348 1048.9971414
1052.1735288 1053.0587266 1058.5165631 1062.6921146 1068.6739560
1073.1618156 1075.6454296 1078.6834494 1082.8424532 1087.2782671
1092.5458600 1098.2142999 1102.2353138 1108.5984049 1115.7039338
1126.6106193 1127.8605069 1139.0281600 1141.2860819 1145.4840896
1154.6549644 1157.6522197 1163.3179170 1194.2885709 1206.7690560
1227.0563826 1235.2209285 1263.0061375
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402161623413072505.eigenfacs
Openam> file on opening on unit 10:
2402161623413072505.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402161623413072505.atom
Openam> file on opening on unit 11:
2402161623413072505.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 179
First residue number = 97
Last residue number = 288
Number of atoms found = 201
Mean number per residue = 1.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9523E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9704E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9896E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0054E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0067E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 6.2006E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 7.6965E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1244
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1353
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1822
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2560
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3163
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3363
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4239
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4478
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4815
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5275
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6247
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6751
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7055
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7484
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8390
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8728
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9272
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9910
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.012
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.087
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.213
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.322
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.374
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.441
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.477
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.523
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.655
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.770
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.886
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 2.001
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 2.061
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 2.165
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 2.205
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 2.247
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 2.285
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 2.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.666
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.735
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.853
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.951
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 3.125
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 3.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 3.231
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 3.353
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 3.542
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 3.618
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.663
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.789
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.920
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.974
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 4.094
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 4.119
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 4.138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 4.296
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 4.317
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 4.392
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 4.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 4.587
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.689
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.758
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.963
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 5.137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 5.209
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 5.418
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 5.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 5.551
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 5.609
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 5.712
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 5.746
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.928
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.969
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 6.263
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 6.277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 6.412
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 6.486
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 6.648
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 6.700
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 6.839
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.998
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 7.128
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 7.151
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 7.289
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 7.348
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 7.466
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 7.567
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 7.629
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 7.723
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 7.950
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 8.160
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 603 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.062006
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= 0.513 for 201 C-alpha atoms.
Bfactors> = 8.746 +/- 14.39
Bfactors> = 17.669 +/- 5.00
Bfactors> Shiftng-fct= 8.923
Bfactors> Scaling-fct= 0.347
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402161623413072505 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=0
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=100
2402161623413072505.eigenfacs
2402161623413072505.atom
making animated gifs
11 models are in 2402161623413072505.7.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 2402161623413072505.7.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 2402161623413072505.7.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 2402161623413072505 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=0
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=100
2402161623413072505.eigenfacs
2402161623413072505.atom
making animated gifs
11 models are in 2402161623413072505.8.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 2402161623413072505.8.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 2402161623413072505.8.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 2402161623413072505 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=0
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=100
2402161623413072505.eigenfacs
2402161623413072505.atom
making animated gifs
11 models are in 2402161623413072505.9.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 2402161623413072505.9.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 2402161623413072505.9.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 2402161623413072505 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=0
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=100
2402161623413072505.eigenfacs
2402161623413072505.atom
making animated gifs
11 models are in 2402161623413072505.10.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 2402161623413072505.10.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 2402161623413072505.10.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 2402161623413072505 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=0
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=100
2402161623413072505.eigenfacs
2402161623413072505.atom
making animated gifs
11 models are in 2402161623413072505.11.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 2402161623413072505.11.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 2402161623413072505.11.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 2402161623413072505 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=0
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=100
2402161623413072505.eigenfacs
2402161623413072505.atom
making animated gifs
11 models are in 2402161623413072505.12.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 2402161623413072505.12.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 2402161623413072505.12.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 2402161623413072505 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=0
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=100
2402161623413072505.eigenfacs
2402161623413072505.atom
making animated gifs
11 models are in 2402161623413072505.13.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 2402161623413072505.13.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 2402161623413072505.13.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 2402161623413072505 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=0
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=100
2402161623413072505.eigenfacs
2402161623413072505.atom
making animated gifs
11 models are in 2402161623413072505.14.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 2402161623413072505.14.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 2402161623413072505.14.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 2402161623413072505 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=0
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=100
2402161623413072505.eigenfacs
2402161623413072505.atom
making animated gifs
11 models are in 2402161623413072505.15.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 2402161623413072505.15.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 2402161623413072505.15.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 2402161623413072505 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=-20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=0
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=20
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=40
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=60
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=80
2402161623413072505.eigenfacs
2402161623413072505.atom
calculating perturbed structure for DQ=100
2402161623413072505.eigenfacs
2402161623413072505.atom
making animated gifs
11 models are in 2402161623413072505.16.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 2402161623413072505.16.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 2402161623413072505.16.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
2402161623413072505.10.pdb
2402161623413072505.11.pdb
2402161623413072505.12.pdb
2402161623413072505.13.pdb
2402161623413072505.14.pdb
2402161623413072505.15.pdb
2402161623413072505.16.pdb
2402161623413072505.7.pdb
2402161623413072505.8.pdb
2402161623413072505.9.pdb
STDERR:
real 0m3.031s
user 0m3.023s
sys 0m0.008s
../../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: 2402161623413072505.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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