*** ***
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 = 2404250537452482900.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 2404250537452482900.atom to be opened.
Openam> File opened: 2404250537452482900.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 195
First residue number = 1
Last residue number = 288
Number of atoms found = 198
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.523490 +/- 10.418411 From: -21.607000 To: 20.709000
= 0.154197 +/- 9.153857 From: -20.850000 To: 18.951000
= 3.048374 +/- 8.130388 From: -13.571000 To: 18.687000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> 1 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 5.5819 % Filled.
Pdbmat> 9864 non-zero elements.
Pdbmat> 964 atom-atom interactions.
Pdbmat> Number per atom= 9.74 +/- 3.27
Maximum number = 19
Minimum number = 4
Pdbmat> Matrix trace = 19280.0
Pdbmat> Larger element = 76.0156
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 198 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) = 594
Diagstd> Number of non-zero elements 9864
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 19280.0000006
%Diagstd-Wn: Nb on non-zero elements there: 594
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 594 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 19280.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0239950 0.0587360 0.0709507 0.0914078
0.1094384 0.1529678 0.1923342 0.2029324 0.2143616
0.2507219 0.2927590 0.3042260 0.3216691 0.3425664
0.3690828 0.4796152 0.4848238 0.5198651 0.5692917
0.6625298 0.6975417 0.7167027 0.7429798 0.8461118
0.8635001 0.9076547 0.9850542 1.0620858 1.0882092
1.1203468 1.2102686 1.2615256 1.3220926 1.3564471
1.4503537 1.4745058 1.4922534 1.5852635 1.6129434
1.6615508 1.7034337 1.7479808 1.8534853 1.8950303
1.9508379 2.0185809 2.0436890 2.1825686 2.2428441
2.3483415 2.3798137 2.4739718 2.5635740 2.6328216
2.7089170 2.7853596 2.8499474 2.8860557 2.9634703
3.0543886 3.1410605 3.2570238 3.2960783 3.3479018
3.3788487 3.4033727 3.4662433 3.5274830 3.5785385
3.7046747 3.8470656 3.9699105 4.0215920 4.1192188
4.1550849 4.1888135 4.2535289 4.3318117 4.4209987
4.4684571 4.6251463 4.7484414 4.8027732 4.8787181
4.8969526 5.0055555 5.1421848 5.2511905 5.3277181
5.4219197 5.4691795 5.5677527 5.6394709 5.6826673
5.8399490 5.9129992 6.0389756 6.0560492 6.2177851
6.2622963 6.3831933 6.4234325 6.4941059 6.5953662
6.6921507 6.7600215 6.8231582 6.8764427 6.9590577
7.1021667 7.1138420 7.2285609 7.2974852 7.4692848
7.6221436 7.7936491 7.9152341 7.9718025 8.1542917
8.2761147 8.3757483 8.5109540 8.5711087 8.7723797
8.8550645 8.8741706 8.9951187 8.9975157 9.1767221
9.2502950 9.4343553 9.5631358 9.6346258 9.7288834
9.7463629 9.8051064 9.8929847 10.0380499 10.1548980
10.3836326 10.5366593 10.6512774 10.6779468 10.8367352
10.9146905 10.9919418 11.0259191 11.1361776 11.3217160
11.4344332 11.6416852 11.8154193 11.9030624 11.9289334
12.0060079 12.0834107 12.2295681 12.4041986 12.4327304
12.6451486 12.7425778 12.9681755 13.0781717 13.1215577
13.3466444 13.3637763 13.4237535 13.5691324 13.6001464
13.6788795 13.8422191 13.9451565 14.0596833 14.1658955
14.2575207 14.3442482 14.5566393 14.5884552 14.7401877
14.8802912 15.1070646 15.1215510 15.2380369 15.3146771
15.3916575 15.6463488 15.7169497 15.9307246 16.0169310
16.1511522 16.2452620 16.3550732 16.4612995 16.4951670
16.7285244 16.8075910 16.9181951 16.9401503 17.0044156
17.0903948 17.2236014 17.3909670 17.4652126 17.5850734
17.6470109 17.7301922 17.7692960 17.8122984 17.9141524
18.0865751 18.1217942 18.3467937 18.5169634 18.5897230
18.6481917 18.8694331 18.9605896 19.1939011 19.2574631
19.3169228 19.5301411 19.5800013 19.8395980 19.9412122
20.1171999 20.1868956 20.2953767 20.5024682 20.5495982
20.8474951 20.8995212 20.9481459 21.0689757 21.1262795
21.4444572 21.4547599 21.4965829 21.5800158 21.6763389
21.8657244 21.9690453 22.0695569 22.2323927 22.3509098
22.4640661 22.5074458 22.6218146 22.6375199 22.7838172
22.8427530 22.9217210 23.0038991 23.0548228 23.1192086
23.2825341 23.3830827 23.4826449 23.5802633 23.7487957
23.8179919 23.9906828 24.1480329 24.1599784 24.4016158
24.4317352 24.5088413 24.5541707 24.7933661 24.8394842
24.8607651 25.0490887 25.1199658 25.2450005 25.3411451
25.5373009 25.5983836 25.7468033 25.7955627 25.8603801
26.1236967 26.2224001 26.3642787 26.4257566 26.4969204
26.7143615 26.7220970 26.7719733 26.9058064 26.9572659
27.0501491 27.1575477 27.4619484 27.5617916 27.6711414
27.7062048 27.8220635 27.9802012 28.0651274 28.1238367
28.2162615 28.4429756 28.4721648 28.6230327 28.7155084
28.9010383 29.0056921 29.2763435 29.4708588 29.6976993
29.7336823 30.0823067 30.1142475 30.3648812 30.3849624
30.5728287 30.6023369 30.7061246 30.8170154 30.9286536
31.0192818 31.0942880 31.2021406 31.4215889 31.4819503
31.6985895 31.7568533 32.0755005 32.1752717 32.2466918
32.4316178 32.4435087 32.5701298 32.6426993 33.0515467
33.2101892 33.3976820 33.4460908 33.5470438 33.7156837
33.8510080 33.9594738 34.0976066 34.2117904 34.3924885
34.4482927 34.5763884 34.8197096 35.0947351 35.2641444
35.3638870 35.4566808 35.4670811 35.6095202 35.6583778
35.7101622 35.8657168 36.0023081 36.0573201 36.2002546
36.4157196 36.5211655 36.6565852 36.9182553 36.9970530
37.1233854 37.2937839 37.4097731 37.5364038 37.7298484
37.8386973 37.9779497 38.0958511 38.1961988 38.5224578
38.6594412 38.7156037 38.9368876 39.0434548 39.3053885
39.3448642 39.5326026 39.7362045 39.9872089 40.1245090
40.2595570 40.4362301 40.5022945 40.6901609 40.8059890
41.0343527 41.1890912 41.3070949 41.4526040 41.7839198
41.8516615 41.8617324 42.0545535 42.2073414 42.3501316
42.4837703 42.5219609 42.6336472 42.9135471 43.0199526
43.1603974 43.3684155 43.7279204 44.0006058 44.1013533
44.2157154 44.3424813 44.5940253 44.7962154 44.9294146
44.9669037 45.3032372 45.3244029 45.6306457 45.7467780
46.0868508 46.2988074 46.3816106 46.7344648 46.8830198
46.9860478 47.1242268 47.3517715 47.5218402 47.5569470
47.8166419 48.1310047 48.3280591 48.5386962 48.6044356
48.7260448 48.8198230 49.1435962 49.2955739 49.3977795
49.5016668 49.5733444 49.5827930 49.7850052 50.0019904
50.2488315 50.3880796 50.5290155 50.7523968 50.9803107
51.4390988 51.6334448 51.7168582 51.8393128 52.0240112
52.2119262 52.5246675 52.8636246 52.9719842 53.0213415
53.5887500 53.7014818 53.8581895 53.9074280 54.1742524
54.5679835 54.6114036 54.7925634 54.8272474 54.9337096
55.1274889 55.3082930 55.6915357 55.8425595 55.8971285
56.3329105 56.4514021 56.6012064 57.2026126 57.2809123
57.5167934 57.6475107 57.8031932 58.1458543 58.3889002
58.6472194 58.9096327 58.9901242 59.4828199 59.5228505
59.8943988 60.2635184 60.3784549 60.4469140 61.1479402
61.2883201 61.5384305 61.6578096 61.6880468 62.0305715
62.2601239 62.2890776 62.4639103 62.7227248 63.1620266
63.3495667 63.6138023 63.9458275 63.9825137 64.1177630
64.3535047 64.5464698 64.6889856 64.9947084 65.0089891
65.6181547 65.7887482 65.9896453 66.4902383 66.6088443
67.0968156 67.1894668 67.4915048 67.7387388 68.1253806
68.4469580 68.7247775 68.8843053 69.4654109 69.5485904
69.7533569 70.2038218 70.6351586 71.4547415 71.5152254
71.6481699 72.0528594 72.3198620 73.0035490 73.2189086
73.6643550 73.9383525 74.1327463 74.6673680 75.2892907
75.6193851 76.2555581 76.4000148 76.7426081 77.0465327
78.2005797 78.3062073 78.9298863 79.2047629 79.7611026
80.1633689 80.4581789 80.8417586 81.3916672 82.2935884
82.9498470 83.6782635 84.2456970 84.6490780 85.2676113
85.4175404 85.8152360 86.1483528 87.0783128 87.8885083
88.5806089 89.2317874 89.4880785 90.6954598 91.9159534
92.2869326 92.9828740 93.5566649 94.5465240 95.5650321
96.4908263 97.0019820 99.9894996 100.9061390 101.7499514
103.5291743 103.7726620 105.1689269 109.1604595
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034215 0.0034295 0.0034321 0.0034339 0.0034365
0.0034415 16.8211399 26.3176787 28.9250128 32.8312113
35.9236225 42.4712807 47.6237420 48.9182612 50.2769285
54.3740146 58.7557512 59.8953993 61.5885430 63.5576208
65.9716276 75.2041365 75.6113964 78.2961866 81.9337296
88.3889536 90.6943769 91.9315952 93.6017088 99.8870411
100.9082065 103.4559849 107.7768171 111.9115962 113.2795419
114.9400866 119.4637575 121.9672720 124.8608294 126.4726762
130.7772634 131.8616554 132.6528441 136.7243968 137.9128853
139.9755205 141.7287291 143.5699681 147.8392866 149.4869755
151.6721619 154.2830996 155.2396619 160.4276525 162.6278142
166.4086520 167.5200371 170.8018831 173.8674194 176.2000369
178.7282202 181.2324304 183.3216264 184.4792971 186.9371289
189.7830516 192.4568748 195.9772884 197.1487569 198.6925728
199.6087854 200.3318645 202.1737651 203.9518964 205.4225560
209.0115665 212.9904228 216.3643166 217.7681126 220.3954950
221.3529087 222.2494998 223.9597510 226.0112552 228.3260559
229.5482979 233.5382481 236.6305536 237.9804708 239.8546497
240.3024675 242.9525278 246.2459642 248.8422770 250.6489559
252.8551601 253.9547658 256.2331096 257.8780998 258.8638427
262.4217391 264.0579143 266.8559665 267.2329325 270.7778488
271.7453279 274.3558835 275.2192850 276.7291842 278.8783086
280.9170750 282.3379911 283.6534049 284.7588268 286.4642951
289.3947922 289.6325632 291.9585525 293.3471630 296.7801080
299.8015296 303.1556761 305.5112191 306.6009855 310.0904578
312.3982048 314.2730132 316.7994383 317.9170212 321.6281037
323.1403154 323.4887385 325.6857290 325.7291209 328.9569523
330.2730006 333.5426652 335.8114043 337.0642608 338.7090340
339.0131694 340.0332887 341.5536648 344.0487267 346.0453854
349.9209439 352.4899575 354.4019704 354.8453816 357.4740417
358.7575038 360.0248603 360.5808691 362.3792778 365.3855839
367.1999403 370.5127920 373.2672176 374.6490497 375.0559742
376.2656676 377.4766116 379.7526741 382.4543772 382.8939807
386.1510751 387.6358433 391.0521871 392.7071403 393.3579920
396.7174690 396.9720032 397.8618195 400.0104351 400.4673119
401.6248179 404.0156050 405.5150502 407.1768230 408.7119141
410.0315605 411.2767663 414.3104049 414.7629294 416.9142958
418.8909676 422.0708159 422.2731316 423.8964611 424.9611242
426.0278355 429.5381918 430.5062017 433.4240894 434.5952078
436.4123524 437.6819543 439.1587357 440.5825965 441.0355924
444.1443049 445.1926808 446.6550978 446.9448215 447.7917989
448.9224534 450.6685624 452.8528922 453.8185233 455.3731009
456.1743449 457.2481974 457.7521486 458.3057025 459.6141727
461.8207569 462.2701779 465.1310892 467.2831970 468.2003553
468.9360740 471.7095906 472.8476114 475.7479292 476.5350154
477.2701267 479.8969293 480.5091236 483.6839921 484.9210732
487.0561665 487.8991357 489.2083245 491.6978999 492.2627212
495.8179219 496.4362065 497.0133746 498.4447105 499.1220900
502.8666206 502.9874045 503.4774167 504.4535225 505.5780919
507.7818992 508.9801816 510.1431827 512.0217187 513.3846546
514.6825747 515.1792784 516.4865296 516.6657855 518.3325995
519.0025622 519.8988912 520.8300186 521.4061802 522.1337454
523.9748045 525.1050118 526.2217397 527.3143680 529.1954193
529.9658093 531.8835813 533.6249897 533.7569595 536.4195191
536.7504741 537.5967936 538.0937100 540.7082881 541.2109399
541.4427281 543.4896096 544.2579762 545.6108178 546.6487990
548.7604169 549.4163153 551.0067742 551.5282764 552.2207639
555.0250650 556.0726049 557.5749153 558.2246314 558.9757677
561.2646368 561.3458912 561.8695185 563.2721601 563.8105545
564.7810437 565.9011230 569.0637923 570.0973238 571.2271185
571.5889187 572.7827751 574.4082865 575.2793552 575.8807528
576.8262503 579.1389775 579.4360670 580.9691925 581.9069380
583.7837516 584.8397684 587.5619953 589.5106780 591.7750943
592.1334949 595.5947314 595.9108435 598.3855173 598.5833489
600.4309791 600.7206707 601.7384796 602.8240463 603.9149596
604.7991187 605.5298942 606.5791457 608.7084793 609.2928681
611.3856617 611.9472837 615.0097506 615.9655053 616.6487616
618.4143906 618.5277490 619.7335741 620.4236042 624.2968935
625.7933661 627.5573823 628.0120288 628.9591042 630.5380016
631.8021262 632.8135304 634.0992330 635.1600612 636.8352300
637.3516748 638.5355689 640.7783832 643.3040193 644.8548279
645.7661517 646.6128321 646.7076586 648.0049765 648.4493679
648.9200479 650.3318701 651.5690588 652.0666718 653.3578192
655.2993367 656.2473978 657.4629480 659.8053988 660.5091619
661.6359084 663.1526436 664.1830945 665.3062628 667.0183938
667.9798602 669.2078670 670.2458300 671.1279918 673.9881710
675.1854366 675.6756969 677.6039001 678.5305407 680.8027902
681.1445807 682.7677255 684.5236719 686.6822568 687.8601431
689.0167443 690.5269129 691.0907721 692.6917004 693.6769030
695.6152169 696.9255477 697.9231539 699.1513310 701.9398040
702.5085788 702.5930976 704.2093606 705.4874276 706.6797755
707.7938853 708.1119477 709.0412859 711.3649895 712.2463694
713.4080367 715.1251597 718.0830773 720.3185649 721.1427451
722.0771603 723.1115124 725.1596294 726.8017134 727.8814643
728.1850732 730.9032589 731.0739785 733.5396394 734.4724942
737.1974036 738.8906695 739.5511099 742.3588955 743.5378290
744.3543632 745.4480774 747.2456503 748.5863523 748.8628105
750.9046900 753.3689969 754.9096157 756.5529575 757.0651109
758.0116151 758.7406993 761.2525267 762.4287135 763.2186844
764.0208167 764.5737614 764.6466209 766.2042540 767.8721680
769.7651830 770.8310209 771.9082786 773.6126429 775.3477294
778.8287157 780.2986054 780.9286334 781.8526242 783.2442179
784.6575144 787.0039936 789.5392941 790.3480763 790.7161988
794.9358693 795.7715621 796.9317970 797.2960010 799.2667446
802.1659675 802.4850486 803.8149692 804.0693390 804.8496209
806.2679298 807.5890236 810.3821699 811.4802198 811.8766096
815.0352180 815.8919471 816.9737904 821.3026281 821.8645409
823.5550095 824.4903171 825.6028731 828.0463713 829.7751566
831.6086408 833.4670548 834.0362667 837.5120313 837.7937973
840.4045310 842.9901930 843.7936984 844.2719239 849.1534853
850.1276449 851.8605141 852.6863808 852.8954353 855.2600209
856.8410612 857.0402731 858.2421982 860.0183910 863.0248644
864.3051574 866.1058212 868.3631518 868.6122088 869.5297812
871.1268143 872.4318810 873.3944960 875.4559123 875.5520854
879.6446931 880.7873968 882.1311887 885.4707610 886.2601649
889.5005787 890.1145036 892.1129341 893.7454284 896.2924770
898.4054051 900.2268286 901.2710512 905.0646130 905.6063237
906.9384967 909.8622738 912.6531195 917.9326269 918.3210429
919.1742115 921.7664365 923.4727286 927.8275568 929.1950888
932.0173036 933.7490325 934.9757027 938.3410189 942.2407511
944.3040470 948.2678622 949.1656253 951.2913716 953.1732148
960.2852682 960.9335914 964.7527361 966.4311718 969.8193721
972.2618842 974.0480459 976.3671440 979.6822791 985.0953754
989.0154472 993.3484303 996.7107539 999.0941046 1002.7376660
1003.6188536 1005.9525155 1007.9030726 1013.3285598 1018.0317595
1022.0322755 1025.7820062 1027.2540726 1034.1607570 1041.0958813
1043.1947333 1047.1207434 1050.3466294 1055.8885091 1061.5605856
1066.6901701 1069.5118092 1085.8566057 1090.8224681 1095.3738924
1104.9093672 1106.2079083 1113.6250760 1134.5612798
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404250537452482900.eigenfacs
Openam> file on opening on unit 10:
2404250537452482900.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404250537452482900.atom
Openam> file on opening on unit 11:
2404250537452482900.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 195
First residue number = 1
Last residue number = 288
Number of atoms found = 198
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: 9.9274E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9742E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9890E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0015E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0044E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.3995E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.8736E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 7.0951E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 9.1408E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1094
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1530
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1923
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2029
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2507
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2928
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3217
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3426
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3691
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4796
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4848
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5199
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5693
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6625
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6975
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7167
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7430
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8635
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9077
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9851
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.062
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.120
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.210
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.262
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.322
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.356
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.450
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.475
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.492
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.585
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.662
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.703
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.748
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.853
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.895
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: 2.019
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.044
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.183
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.348
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.380
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.474
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.564
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.633
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 2.850
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 2.886
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 2.963
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.054
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.141
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.257
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.296
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.348
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.379
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.403
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.466
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.527
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 3.579
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 3.705
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 3.847
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 3.970
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.022
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.119
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.155
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.189
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.254
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.332
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.421
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4.468
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 4.625
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 4.748
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 4.803
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 4.879
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 4.897
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.006
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.251
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.328
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.469
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 5.568
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 5.639
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 5.683
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 5.840
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 5.913
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.039
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.056
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.218
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.262
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 594 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 : 0.023995
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= 0.091 for 197 C-alpha atoms.
Bfactors> = 14.108 +/- 27.37
Bfactors> = 12.786 +/- 8.34
Bfactors> Shiftng-fct= -1.322
Bfactors> Scaling-fct= 0.305
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404250537452482900 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=0
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=100
2404250537452482900.eigenfacs
2404250537452482900.atom
making animated gifs
11 models are in 2404250537452482900.7.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 2404250537452482900.7.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 2404250537452482900.7.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 2404250537452482900 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=0
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=100
2404250537452482900.eigenfacs
2404250537452482900.atom
making animated gifs
11 models are in 2404250537452482900.8.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 2404250537452482900.8.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 2404250537452482900.8.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 2404250537452482900 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=0
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=100
2404250537452482900.eigenfacs
2404250537452482900.atom
making animated gifs
11 models are in 2404250537452482900.9.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 2404250537452482900.9.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 2404250537452482900.9.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 2404250537452482900 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=0
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=100
2404250537452482900.eigenfacs
2404250537452482900.atom
making animated gifs
11 models are in 2404250537452482900.10.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 2404250537452482900.10.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 2404250537452482900.10.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 2404250537452482900 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=0
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=100
2404250537452482900.eigenfacs
2404250537452482900.atom
making animated gifs
11 models are in 2404250537452482900.11.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 2404250537452482900.11.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 2404250537452482900.11.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 2404250537452482900 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=0
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=100
2404250537452482900.eigenfacs
2404250537452482900.atom
making animated gifs
11 models are in 2404250537452482900.12.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 2404250537452482900.12.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 2404250537452482900.12.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 2404250537452482900 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=0
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=100
2404250537452482900.eigenfacs
2404250537452482900.atom
making animated gifs
11 models are in 2404250537452482900.13.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 2404250537452482900.13.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 2404250537452482900.13.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 2404250537452482900 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=0
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=100
2404250537452482900.eigenfacs
2404250537452482900.atom
making animated gifs
11 models are in 2404250537452482900.14.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 2404250537452482900.14.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 2404250537452482900.14.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 2404250537452482900 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=0
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=100
2404250537452482900.eigenfacs
2404250537452482900.atom
making animated gifs
11 models are in 2404250537452482900.15.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 2404250537452482900.15.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 2404250537452482900.15.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 2404250537452482900 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=-20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=0
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=20
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=40
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=60
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=80
2404250537452482900.eigenfacs
2404250537452482900.atom
calculating perturbed structure for DQ=100
2404250537452482900.eigenfacs
2404250537452482900.atom
making animated gifs
11 models are in 2404250537452482900.16.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 2404250537452482900.16.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 2404250537452482900.16.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
2404250537452482900.10.pdb
2404250537452482900.11.pdb
2404250537452482900.12.pdb
2404250537452482900.13.pdb
2404250537452482900.14.pdb
2404250537452482900.15.pdb
2404250537452482900.16.pdb
2404250537452482900.7.pdb
2404250537452482900.8.pdb
2404250537452482900.9.pdb
STDERR:
real 0m3.035s
user 0m3.027s
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: 2404250537452482900.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
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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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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