*** ***
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 = 2404111648063733338.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 2404111648063733338.atom to be opened.
Openam> File opened: 2404111648063733338.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 = 186
First residue number = 97
Last residue number = 290
Number of atoms found = 187
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 168.121786 +/- 9.081702 From: 146.970000 To: 187.481000
= -28.282786 +/- 8.745809 From: -48.466000 To: -6.633000
= -263.531144 +/- 9.533517 From: -283.576000 To: -242.860000
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 5.9071 % Filled.
Pdbmat> 9312 non-zero elements.
Pdbmat> 910 atom-atom interactions.
Pdbmat> Number per atom= 9.73 +/- 3.24
Maximum number = 17
Minimum number = 3
Pdbmat> Matrix trace = 18200.0
Pdbmat> Larger element = 68.3852
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 187 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) = 561
Diagstd> Number of non-zero elements 9312
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 18200.0000006
%Diagstd-Wn: Nb on non-zero elements there: 561
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 561 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 18200.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0016693 0.0590638 0.0763547 0.0783639
0.0826264 0.1154612 0.1313503 0.1573277 0.2005689
0.2121164 0.2560921 0.2953452 0.3315529 0.3511051
0.3990503 0.4284429 0.4454306 0.4887475 0.5261814
0.5473555 0.6085564 0.6309097 0.6938572 0.7227163
0.7770185 0.8390842 0.9054675 0.9237776 0.9643113
0.9965243 1.0304130 1.1084338 1.1403354 1.2116881
1.2598456 1.3144847 1.4611975 1.4938060 1.5512600
1.6463739 1.7313528 1.7547450 1.7855092 1.8824480
1.9511233 1.9588655 2.1191262 2.2086191 2.2496367
2.2869303 2.3504979 2.4488181 2.5523714 2.5667638
2.7596545 2.8021814 2.8809330 2.9372164 2.9569373
3.0894638 3.1735233 3.1909295 3.4126902 3.4757127
3.5110758 3.6833543 3.7601425 3.8756483 3.8928248
3.9683927 4.0773821 4.1767628 4.2069777 4.2670748
4.3621056 4.4308302 4.5982509 4.6842212 4.7835692
4.8455529 4.9169766 5.0453911 5.1888225 5.3434328
5.4339074 5.4715215 5.5174312 5.5963203 5.6509383
5.7882202 5.8882969 5.9863273 6.0538319 6.1595897
6.2247009 6.3484349 6.4792572 6.6039724 6.7116444
6.7415001 6.7961353 6.8731295 6.9435334 7.0772329
7.2563245 7.3498451 7.4955225 7.5396435 7.6385313
7.7316849 7.9599138 8.0555266 8.2032614 8.2440665
8.3734903 8.4979079 8.6198725 8.7166745 8.7755814
8.8072419 8.9410175 9.0293627 9.0650831 9.2964884
9.3223267 9.6326111 9.6645463 9.8243430 9.8704708
10.0261475 10.0626163 10.1348412 10.3294382 10.3694627
10.5872367 10.6785131 10.7993616 10.9984709 11.1398616
11.2662515 11.3632617 11.4322408 11.7139276 11.7354358
11.8594624 12.0193037 12.0828848 12.2804614 12.3243822
12.5780236 12.6552518 12.7863226 12.8606613 12.9496338
13.1099394 13.1244190 13.2695965 13.3918949 13.4362334
13.5911275 13.6333905 13.8003554 13.8245052 14.1977397
14.2401951 14.2964976 14.5061353 14.5389379 14.6558090
14.7818240 14.8585993 14.9343406 15.1369997 15.2602464
15.3217306 15.4495762 15.5155362 15.6109083 15.8155485
15.9670623 16.0706608 16.1811743 16.2400685 16.5007993
16.5646245 16.6276838 16.7778425 16.9010314 17.0918224
17.2466114 17.3194620 17.3829715 17.4641480 17.6531333
17.8760593 18.0077413 18.1069865 18.3953358 18.5384404
18.7545816 18.9012097 18.9557632 19.0520156 19.1642091
19.2626720 19.3481831 19.5081569 19.6140540 19.6385449
19.7475457 19.8401981 20.0912203 20.2301431 20.2969169
20.4595077 20.4863090 20.5668924 20.7183106 20.8005337
20.8706772 20.9751339 21.1327536 21.2288787 21.4473149
21.6907409 21.7590022 21.9268223 22.0611329 22.1437260
22.2819442 22.3037166 22.3103734 22.4538279 22.5939270
22.6785284 22.7837876 22.9127139 23.0421917 23.1826267
23.2857300 23.4586073 23.7123945 23.8074780 23.9403096
23.9716395 24.1111899 24.1771449 24.2014308 24.3565810
24.4499826 24.4959268 24.5853701 24.6173652 24.6973131
24.8084470 24.9050376 24.9816903 25.1144547 25.1953373
25.2758415 25.4353605 25.6951285 25.7319663 25.7891471
25.9181950 25.9624342 26.0602550 26.1804520 26.3359753
26.5630478 26.6771758 26.8318536 26.9170662 26.9954599
27.1798986 27.3095503 27.5031377 27.5633189 27.6736664
27.7385131 27.8197707 27.9444850 27.9966022 28.1951985
28.2457203 28.3251595 28.4639317 28.6022950 28.7343713
28.9845348 29.1562496 29.2196519 29.2668552 29.3418247
29.5538404 29.7321128 29.9631936 30.0273554 30.2382152
30.3765666 30.5262831 30.6298020 30.7646907 30.9267089
30.9971543 31.2230785 31.4156138 31.6342874 31.7347891
31.8745126 32.1576215 32.1896927 32.2265369 32.4842049
32.5434565 32.8664256 32.9923011 33.0472225 33.1734316
33.4000875 33.4980910 33.6667487 33.8211423 33.9407846
34.0289474 34.2267717 34.3013232 34.4756534 34.5801543
34.8106335 34.9719261 35.0961901 35.1481757 35.4192801
35.5302749 35.8393074 35.8759883 36.0227451 36.2462361
36.5274115 36.5688190 36.6854220 36.9012756 36.9774019
37.3457061 37.4534808 37.6316743 37.7409626 37.8253648
37.9492054 38.0996145 38.1396324 38.4529688 38.6376089
38.9250858 39.0604631 39.1022331 39.5368848 39.6010467
39.7320814 39.8844777 40.1072913 40.1328072 40.3416255
40.4192697 40.6692240 40.7738706 41.2612215 41.3348389
41.5121629 41.7501630 41.8443279 42.1488970 42.3493240
42.4580295 42.7169987 43.0658669 43.4148674 43.4723259
43.7976890 43.8948272 44.0652229 44.2405029 44.4458599
44.5033266 44.6291111 44.8190666 45.1325701 45.2504131
45.3571692 45.5391998 45.9085721 46.0130779 46.2475539
46.4263843 46.7065875 46.8519213 47.1518070 47.3894123
47.4343094 47.6166023 47.7036510 47.8565765 48.0826275
48.3212586 48.3961578 48.5673050 48.6788386 49.0206730
49.0783326 49.3061312 49.3476150 49.7245501 49.8525776
50.0564782 50.3854199 50.5184202 50.5689339 50.9015914
50.9877214 51.2191049 51.2543274 51.5552770 51.5964796
51.8578663 51.9055414 52.0767286 52.3249636 52.5841339
52.7730447 53.0293646 53.2175286 53.4117407 53.4632983
53.9187843 54.0828123 54.3023281 54.5877678 54.6880157
54.9831495 55.2560278 55.2913489 55.5778106 55.6904509
55.9062543 55.9801098 56.2580679 56.3228231 56.6615450
56.9581146 57.3478262 57.5156291 57.7098478 57.8356821
58.0527713 58.1362263 58.6117978 58.7335406 58.9189754
59.2113775 59.5299597 59.7317815 60.1342504 60.1735978
60.4192374 60.6132821 61.0737693 61.1145046 61.4274792
61.6171990 62.2803143 62.2972581 62.5099287 62.6122874
63.2136175 63.4673155 63.4889592 63.9790072 64.1854677
64.2533480 64.4884038 64.7120875 65.1148515 65.4684512
65.5390593 65.7251230 65.9979544 66.1060865 66.3277908
67.0507185 67.3334723 68.0230459 68.3332804 68.7205986
69.0278247 69.2469180 69.4794711 69.6535903 70.1258881
70.5544906 71.4171217 71.5932846 71.9492923 72.2502704
72.3984763 73.0374310 73.2803731 73.7030788 73.9109117
74.4388373 74.4964353 74.9329426 75.2865078 75.5332857
76.1619372 76.3134695 77.0761325 78.1168049 78.5928255
78.9486882 79.1847418 79.6673811 80.0939147 80.6792045
81.1841987 81.9557241 82.3778034 82.7908420 83.2593579
83.6469612 84.4198976 84.6416398 85.2065214 86.2197021
86.8663959 87.2768390 87.5471005 87.8936158 88.6594686
89.9969363 90.3987280 91.1502917 91.7201399 91.8007235
92.4524800 93.4323552 94.2596709 94.7380061 96.0409986
96.7655808 97.5823447 100.8001458 102.8761572 104.1625611
104.4858893
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034250 0.0034280 0.0034325 0.0034365 0.0034421
0.0034435 4.4366590 26.3910075 30.0063576 30.3985864
31.2143840 36.8988875 39.3559886 43.0722880 48.6325536
50.0129474 54.9532511 59.0147077 62.5275901 64.3448552
68.5976290 71.0790698 72.4745132 75.9167383 78.7703957
80.3396643 84.7121492 86.2539284 90.4545315 92.3164752
95.7218226 99.4713617 103.3312553 104.3707965 106.6360148
108.4024802 110.2302907 114.3273563 115.9608994 119.5337915
121.8860353 124.5010580 131.2652422 132.7218358 135.2500943
139.3347742 142.8854681 143.8474899 145.1029765 148.9898810
151.6832549 151.9839011 158.0788228 161.3822216 162.8738927
164.2183737 166.4850408 169.9313650 173.4871121 173.9755558
180.3942281 181.7788713 184.3155004 186.1072337 186.7309631
190.8696310 193.4488386 193.9786299 200.6059058 202.4497366
203.4770274 208.4092678 210.5704523 213.7801908 214.2533930
216.3229521 219.2734191 221.9295765 222.7308549 224.3160809
226.8001655 228.5797926 232.8582410 235.0249537 237.5042102
239.0380022 240.7932736 243.9173525 247.3601238 251.0183423
253.1345335 254.0091347 255.0725616 256.8896243 258.1401527
261.2569203 263.5057707 265.6901848 267.1840075 269.5076974
270.9283953 273.6078881 276.4126336 279.0602015 281.3259205
281.9509438 283.0911479 284.6902170 286.1445929 288.8863508
292.5186957 294.3976731 297.3009077 298.1746287 300.1236454
301.9481367 306.3722759 308.2068223 311.0201711 311.7927580
314.2306482 316.5565400 318.8201048 320.6052972 321.6867922
322.2665590 324.7048326 326.3050753 326.9498753 331.0966191
331.5564176 337.0290165 337.5872352 340.3666807 341.1647988
343.8446916 344.4694699 345.7034831 349.0065922 349.6821050
353.3349447 354.8547904 356.8570833 360.1317694 362.4392128
364.4894826 366.0553727 367.1647351 371.6606201 372.0016721
373.9622647 376.4739543 377.4683976 380.5420236 381.2219155
385.1247973 386.3053087 388.3006421 389.4277821 390.7725277
393.1838053 393.4008773 395.5707209 397.3894170 398.0467197
400.3345049 400.9564621 403.4041995 403.7570127 409.1710372
409.7823512 410.5916450 413.5910596 414.0584200 415.7192909
417.5027046 418.5855340 419.6510419 422.4887812 424.2052635
425.0589761 426.8286522 427.7388270 429.0514433 431.8544609
433.9181237 435.3235353 436.8177713 437.6119865 441.1108816
441.9631685 442.8036161 444.7985237 446.4284721 448.9412030
450.9694984 451.9209540 452.7487801 453.8046918 456.2534701
459.1252458 460.8131896 462.0812738 465.7460065 467.5541093
470.2718356 472.1066097 472.7874265 473.9862509 475.3798072
476.5994596 477.6561504 479.6267541 480.9267822 481.2269409
482.5605824 483.6913073 486.7415699 488.4214829 489.2268867
491.1824824 491.5040938 492.4698169 494.2793307 495.2591629
496.0935160 497.3334280 499.1985614 500.3326081 502.9001264
505.7460194 506.5411923 508.4908345 510.0458115 510.9996820
512.5919971 512.8423710 512.9188971 514.5652755 516.1680757
517.1335512 518.3322629 519.7967346 521.2633282 522.8493852
524.0107647 525.9523417 528.7896989 529.8488257 531.3248903
531.6724407 533.2177551 533.9465527 534.2146592 535.9242922
536.9508793 537.4551364 538.4354621 538.7857054 539.6598823
540.8727105 541.9246192 542.7579458 544.1982695 545.0738766
545.9439928 547.6640442 550.4535504 550.8479881 551.4596870
552.8377072 553.3093189 554.3507137 555.6276505 557.2755426
559.6728399 560.8738675 562.4975280 563.3900100 564.2098266
566.1339454 567.4826062 569.4903923 570.1131191 571.2531804
571.9220870 572.7591735 574.0415596 574.5766108 576.6109142
577.1272857 577.9382819 579.3522852 580.7586957 582.0980303
584.6264332 586.3556443 586.9928340 587.4667750 588.2187172
590.3400423 592.1178670 594.4144117 595.0504967 597.1361412
598.5006447 599.9737424 600.9901792 602.3120573 603.8959725
604.5833642 606.7826308 608.6506012 610.7652341 611.7346614
613.0798697 615.7965337 616.1035276 616.4560217 618.9155597
619.4797570 622.5461011 623.7371107 624.2560538 625.4469516
627.5799818 628.5000392 630.0802532 631.5233549 632.6393761
633.4604980 635.2991135 635.9906293 637.6047349 638.5703414
640.6948653 642.1774573 643.3173546 643.7936289 646.2717097
647.2835416 650.0923933 650.4249869 651.7539666 653.7726343
656.3035129 656.6754007 657.7215022 659.6536503 660.3337232
663.6141196 664.5709805 666.1500284 667.1166299 667.8621681
668.9545679 670.2789347 670.6308559 673.3800070 674.9947595
677.5012010 678.6783168 679.0410985 682.8047030 683.3585187
684.4881577 685.7996117 687.7125450 687.9312681 689.7186618
690.3820826 692.5134664 693.4038529 697.5355084 698.1574956
699.6534200 701.6562013 702.4470264 704.9988156 706.6730371
707.5794278 709.7340575 712.6263506 715.5080426 715.9813643
718.6557060 719.4522115 720.8472830 722.2795314 723.9539411
724.4218119 725.4448448 726.9870657 729.5252248 730.4770136
731.3381879 732.8042473 735.7701635 736.6071377 738.4815743
739.9079800 742.1374527 743.2911858 745.6661879 747.5425911
747.8966216 749.3323494 750.0169694 751.2181879 752.9902909
754.8565000 755.4412968 756.7758817 757.6443419 760.2998674
760.7468799 762.5103513 762.8310538 765.7389023 766.7240555
768.2904340 770.8106765 771.8273440 772.2131255 774.7488864
775.4040805 777.1614902 777.4286645 779.7077349 780.0192410
781.9925260 782.3519025 783.6409592 785.5064357 787.4493756
788.8625804 790.7760218 792.1777339 793.6219047 794.0048484
797.3799771 798.5919235 800.2109777 802.3113721 803.0477380
805.2117187 807.2073558 807.4653092 809.5543256 810.3742776
811.9428806 812.4790159 814.4936198 814.9622418 817.4091345
819.5455241 822.3444404 823.5466736 824.9359777 825.8348599
827.3833152 827.9778127 831.3574665 832.2204269 833.5331436
835.5989058 837.8438274 839.2628785 842.0855814 842.3610354
844.0786197 845.4329709 848.6383282 848.9212953 851.0922330
852.4055258 856.9799832 857.0965487 858.5582824 859.2609300
863.3772533 865.1080333 865.2555306 868.5884073 869.9887475
870.4486608 872.0393731 873.5504365 876.2646815 878.6406940
879.1143763 880.3613829 882.1867237 882.9091225 884.3884181
889.1949716 891.0678735 895.6190399 897.6590534 900.1994584
902.2094548 903.6401204 905.1562031 906.2896782 909.3571116
912.1318288 917.6909563 918.8220821 921.1037352 923.0283045
923.9745164 928.0428407 929.5850193 932.2622424 933.5757452
936.9039521 937.2663524 940.0082691 942.2233370 943.7663068
947.6855771 948.6278694 953.3562931 959.7707627 962.6906008
964.8676361 966.3090183 969.2494219 971.8406054 975.3850256
978.4328705 983.0710934 985.5992945 988.0670803 990.8588871
993.1626171 997.7407053 999.0502081 1002.3783961 1008.3203662
1012.0947727 1014.4830249 1016.0525355 1018.0613402 1022.4871111
1030.1705798 1032.4676193 1036.7506389 1039.9863390 1040.4430946
1044.1299733 1049.6485946 1054.2855155 1056.9571970 1064.2008803
1068.2077738 1072.7064819 1090.2494101 1101.4192104 1108.2841060
1110.0028705
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404111648063733338.eigenfacs
Openam> file on opening on unit 10:
2404111648063733338.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404111648063733338.atom
Openam> file on opening on unit 11:
2404111648063733338.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 = 186
First residue number = 97
Last residue number = 290
Number of atoms found = 187
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9477E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9651E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9915E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0015E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0047E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0056E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6693E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.9064E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 7.6355E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.8364E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 8.2626E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1155
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1314
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1573
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2006
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2121
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2561
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2953
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3316
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3991
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4284
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4454
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4887
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5262
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5474
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6086
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6309
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6939
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7227
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7770
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8391
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9055
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9238
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9643
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9965
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.030
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.108
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.140
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.212
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.260
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.314
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.494
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.551
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.646
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.731
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.755
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.786
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.882
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 1.951
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 1.959
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.119
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.209
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.250
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.287
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.350
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.449
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.552
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.567
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.760
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.802
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 2.881
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 2.937
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 2.957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.174
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.191
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.413
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.476
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.683
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.760
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.876
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 3.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 3.968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.077
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.177
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.207
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.267
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.598
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.684
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.784
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4.846
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 4.917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.045
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.189
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.343
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.434
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.472
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.517
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.596
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.651
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.788
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 5.986
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.054
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.160
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.225
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.348
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.479
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.604
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.712
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.742
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 561 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 : 0.001669
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= 0.244 for 187 C-alpha atoms.
Bfactors> = 62.284 +/- 439.41
Bfactors> = 29.908 +/- 13.17
Bfactors> Shiftng-fct= -32.376
Bfactors> Scaling-fct= 0.030
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404111648063733338 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=0
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=100
2404111648063733338.eigenfacs
2404111648063733338.atom
making animated gifs
11 models are in 2404111648063733338.7.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 2404111648063733338.7.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 2404111648063733338.7.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 2404111648063733338 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=0
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=100
2404111648063733338.eigenfacs
2404111648063733338.atom
making animated gifs
11 models are in 2404111648063733338.8.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 2404111648063733338.8.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 2404111648063733338.8.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 2404111648063733338 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=0
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=100
2404111648063733338.eigenfacs
2404111648063733338.atom
making animated gifs
11 models are in 2404111648063733338.9.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 2404111648063733338.9.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 2404111648063733338.9.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 2404111648063733338 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=0
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=100
2404111648063733338.eigenfacs
2404111648063733338.atom
making animated gifs
11 models are in 2404111648063733338.10.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 2404111648063733338.10.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 2404111648063733338.10.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 2404111648063733338 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=0
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=100
2404111648063733338.eigenfacs
2404111648063733338.atom
making animated gifs
11 models are in 2404111648063733338.11.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 2404111648063733338.11.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 2404111648063733338.11.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 2404111648063733338 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=0
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=100
2404111648063733338.eigenfacs
2404111648063733338.atom
making animated gifs
11 models are in 2404111648063733338.12.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 2404111648063733338.12.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 2404111648063733338.12.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 2404111648063733338 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=0
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=100
2404111648063733338.eigenfacs
2404111648063733338.atom
making animated gifs
11 models are in 2404111648063733338.13.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 2404111648063733338.13.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 2404111648063733338.13.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 2404111648063733338 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=0
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=100
2404111648063733338.eigenfacs
2404111648063733338.atom
making animated gifs
11 models are in 2404111648063733338.14.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 2404111648063733338.14.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 2404111648063733338.14.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 2404111648063733338 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=0
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=100
2404111648063733338.eigenfacs
2404111648063733338.atom
making animated gifs
11 models are in 2404111648063733338.15.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 2404111648063733338.15.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 2404111648063733338.15.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 2404111648063733338 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=-20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=0
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=20
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=40
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=60
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=80
2404111648063733338.eigenfacs
2404111648063733338.atom
calculating perturbed structure for DQ=100
2404111648063733338.eigenfacs
2404111648063733338.atom
making animated gifs
11 models are in 2404111648063733338.16.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 2404111648063733338.16.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 2404111648063733338.16.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
2404111648063733338.10.pdb
2404111648063733338.11.pdb
2404111648063733338.12.pdb
2404111648063733338.13.pdb
2404111648063733338.14.pdb
2404111648063733338.15.pdb
2404111648063733338.16.pdb
2404111648063733338.7.pdb
2404111648063733338.8.pdb
2404111648063733338.9.pdb
STDERR:
real 0m2.506s
user 0m2.489s
sys 0m0.016s
../../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: 2404111648063733338.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
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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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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
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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
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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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