*** ***
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 = 240414222520177412.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 240414222520177412.atom to be opened.
Openam> File opened: 240414222520177412.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 = 180
First residue number = 1
Last residue number = 288
Number of atoms found = 202
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 3.394327 +/- 7.098633 From: -12.383000 To: 20.296000
= 15.367866 +/- 10.215885 From: -5.060000 To: 37.108000
= -12.149861 +/- 9.264581 From: -32.704000 To: 7.847000
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 6.3424 % Filled.
Pdbmat> 11665 non-zero elements.
Pdbmat> 1164 atom-atom interactions.
Pdbmat> Number per atom= 11.52 +/- 4.18
Maximum number = 23
Minimum number = 3
Pdbmat> Matrix trace = 23280.0
Pdbmat> Larger element = 82.6731
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 202 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) = 606
Diagstd> Number of non-zero elements 11665
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 23280.0000006
%Diagstd-Wn: Nb on non-zero elements there: 606
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 606 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 23280.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0620844 0.0769931 0.1243181 0.1355220
0.1823131 0.2018441 0.2564990 0.2886695 0.3176032
0.3374201 0.4252443 0.4528588 0.4835155 0.5453729
0.6268286 0.6793321 0.7087000 0.7501539 0.8704789
0.9139530 0.9498860 1.0049340 1.0219813 1.0679676
1.1068083 1.1975235 1.3139309 1.3439936 1.4159850
1.4627534 1.4893012 1.5315813 1.6496441 1.6819168
1.8197692 1.9151612 2.0206187 2.1080931 2.1984241
2.2397911 2.2994037 2.4414802 2.5459635 2.6668704
2.7405159 2.7983828 2.8556338 2.9702656 3.1184206
3.1638925 3.2163100 3.3563960 3.4325773 3.5786832
3.7324252 3.7844365 3.8217552 3.9319404 3.9965512
4.1296806 4.1461799 4.2661828 4.3234621 4.4069493
4.4190430 4.5286204 4.6276481 4.7745779 4.8313314
4.9725535 5.1336795 5.2028101 5.3124325 5.4767040
5.5555489 5.6441679 5.7045654 5.8072458 5.8566262
5.9781656 6.0779325 6.2767758 6.3169625 6.3812852
6.4896183 6.5696459 6.8010329 6.8347586 7.0464801
7.1034429 7.2462259 7.3045047 7.3416803 7.4494822
7.5950642 7.7430407 7.9205268 7.9882169 8.0476525
8.2548850 8.4284373 8.5722052 8.7922728 8.8616620
8.9982435 9.0792337 9.2764358 9.3344302 9.4978389
9.6610125 9.7579140 9.9333182 10.0746815 10.1893472
10.3227022 10.4252808 10.7174627 10.8076470 10.8870351
10.9448727 11.0571095 11.1436489 11.1646385 11.1696792
11.2296648 11.5139168 11.6434169 11.6991075 11.7500670
12.0222361 12.1342597 12.2398399 12.2986246 12.3020817
12.4940838 12.6830434 12.7141875 12.8713927 13.0823040
13.1452654 13.2663927 13.3746872 13.4755292 13.6160156
13.6990330 13.8312243 13.9102648 14.2145595 14.4432586
14.5124999 14.5299305 14.6252216 14.6999784 14.9853200
15.0243354 15.0401556 15.1858068 15.3537179 15.6204157
15.8135714 15.9197484 15.9986641 16.0691520 16.1045529
16.1378501 16.3684202 16.4660985 16.6081289 16.6314508
16.7355041 16.8736446 16.9161463 17.0902342 17.2033703
17.3397485 17.4411958 17.5702414 17.6650075 17.7846626
17.9062081 18.0110188 18.2564884 18.3345594 18.5471975
18.6632861 18.7883655 18.9159175 19.0425845 19.3506583
19.4500031 19.4865650 19.5749198 19.6085949 19.9356058
19.9797880 20.1410576 20.2583060 20.3060891 20.4594291
20.6568410 20.6837260 20.9276740 21.0178793 21.0612882
21.1414708 21.2742496 21.4575085 21.5698656 21.6996512
21.7047430 21.7938835 21.8719141 21.9515496 22.1379454
22.3844287 22.4716099 22.7009432 22.8210402 22.8393680
22.9719852 22.9914392 23.0870434 23.1426437 23.3838984
23.5423769 23.8011710 23.8360394 23.9426578 23.9781380
24.1387506 24.2836409 24.4414940 24.5655614 24.5824443
25.0096501 25.0337968 25.0722309 25.2163440 25.2740733
25.3498521 25.4529343 25.5632878 25.7437373 25.8566320
25.9932824 26.1726515 26.3463288 26.6300361 26.6517280
26.7495671 26.9140219 27.0197583 27.0313610 27.0901121
27.2893173 27.3739987 27.4526270 27.5763256 27.6771695
27.7859850 27.8130739 27.8718972 27.8766766 27.9482407
28.0098949 28.1111812 28.2613194 28.3061307 28.4646307
28.5501720 28.5941565 28.6256079 28.6677472 28.8244442
28.9028321 29.1507795 29.2510987 29.3809316 29.5779553
29.6134662 29.8488143 29.8644096 29.9548147 30.1565023
30.1985736 30.3317334 30.4637045 30.5315942 30.7799941
30.9790355 31.1965371 31.3451838 31.4618208 31.5001727
31.5490432 31.6959454 31.8118900 32.0332496 32.1122863
32.2461772 32.3353133 32.4090178 32.5051016 32.6904024
32.8056013 32.8836278 33.2043815 33.4426709 33.4854293
33.8831960 34.1478507 34.2316580 34.3375561 34.6152060
34.6359295 34.7313135 34.7636578 34.7876029 35.0839189
35.1677707 35.5279331 35.6068950 35.7440074 35.9065153
36.1642167 36.4357437 36.5694251 36.6855702 36.8968740
37.0406784 37.2240811 37.5591378 37.5839946 37.6672146
37.8142667 37.9275536 38.3222967 38.5913565 38.6686883
38.9372937 39.3745094 39.4540622 39.5422960 39.6760580
39.8847685 40.0085285 40.0627396 40.3932430 40.6538213
40.7893406 40.9813250 41.3075100 41.4024006 41.5368801
41.6345567 41.7746138 41.8718070 42.2646984 42.3697103
42.4887080 42.5052275 42.8386372 43.0304078 43.0817531
43.2212637 43.4892905 43.6179394 43.7500540 43.8425996
43.8801010 43.9302503 44.0331535 44.1180232 44.1840074
44.3981782 44.8641619 44.9186022 45.1182090 45.1717834
45.3279921 45.7001688 45.7629630 45.9886630 46.2597485
46.4343247 46.7327165 46.8104961 47.0522393 47.2438508
47.4271265 47.5255622 47.6690992 47.7802746 47.9026395
48.3141854 48.4995887 48.5802492 48.7156751 49.0280616
49.2807367 49.4225396 49.7112033 49.8772506 50.0957682
50.3944546 50.6098941 50.8286918 50.9584298 50.9804695
51.0980066 51.3314748 51.3714383 52.1320825 52.3765602
52.5294314 52.7655144 52.8199622 53.1365682 53.1916807
53.3751843 53.5241858 53.7517387 53.8721544 54.1523764
54.3571415 54.5219987 54.8103688 54.9339157 55.1608382
55.3929698 55.5557055 55.7078353 56.1050441 56.3278448
56.4542294 56.5805331 56.6654147 56.7625881 57.2276014
57.2992778 57.4742790 57.7786447 57.8279382 57.8983406
58.2650849 58.3084127 58.4346329 58.6090392 58.8050891
58.9394110 59.0468127 59.3487705 59.4204989 59.4660778
59.7146956 60.0865852 60.1356547 60.2834754 60.4873595
60.6433895 60.9358021 61.0496199 61.3525700 61.6339986
61.6379423 61.9875583 62.0265533 62.2351459 62.3730975
62.5475666 62.8577371 62.8928542 63.0143924 63.3691708
63.4787651 63.7506810 64.2880439 64.3280523 64.4392937
64.9407835 64.9772315 65.0240069 65.2218045 65.5578409
65.7518762 66.0725106 66.2444947 66.4723296 66.6569405
66.9162061 66.9464333 67.1682766 67.3769991 67.5541313
67.6467000 67.8110905 68.3111206 68.5617883 69.0232717
69.5397432 69.6572807 70.0112179 70.2878320 70.4483622
70.8651872 71.4816089 72.0208308 72.2674761 72.5588191
72.9508449 73.0213428 73.1569256 73.4328436 73.8623503
74.0067799 74.6303122 74.6595533 75.1231048 75.3466616
75.3782418 75.6794173 76.1826210 76.7180652 76.7803371
76.8352695 77.0849629 77.5672481 77.9188850 78.0624744
78.2574404 78.7171570 79.0348427 79.5765651 79.7755118
79.8502411 80.4101914 80.5182212 80.9575878 80.9923175
81.1494735 81.2551635 81.4841113 82.1331710 82.2020810
82.9172192 83.2904563 83.3520557 83.5753752 83.8938162
84.5262636 84.7530494 85.0524984 85.5567822 85.5970032
85.8184200 86.6998206 86.9693044 87.4301421 88.1558956
88.5745962 89.1891002 89.6425414 90.2489211 90.9939305
91.5771931 91.8056460 92.1457481 92.5219596 92.6947709
93.4890232 93.7310006 94.0394264 95.0015617 95.1269863
95.7689036 96.8373336 97.3760155 98.5148754 98.6430476
99.4615252 101.1689105 101.8848532 102.9537099 103.1852871
104.5377397 105.7027011 105.9978516 108.7235542 109.8668045
110.8114576 111.5948379 112.1222623 113.5544492 113.8371508
116.6194788 120.9655258 123.5264136 127.7310803 129.5625765
135.2792661
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034245 0.0034304 0.0034324 0.0034347 0.0034421
0.0034460 27.0574378 30.1315327 38.2879829 39.9760763
46.3664863 48.7869072 54.9968849 58.3439391 61.1980709
63.0784125 70.8132476 73.0763257 75.5093026 80.1940359
85.9745020 89.5027424 91.4169028 94.0525286 101.3151513
103.8143063 105.8354168 108.8589256 109.7783630 112.2210462
114.2434964 118.8330643 124.4748285 125.8907666 129.2184735
131.3351072 132.5215648 134.3894901 139.4730869 140.8307617
146.4884662 150.2788782 154.3609559 157.6667719 161.0093221
162.5170889 164.6656036 169.6765726 173.2691983 177.3357238
179.7676089 181.6556228 183.5044247 187.1513310 191.7620325
193.1550819 194.7485495 198.9444732 201.1895623 205.4267095
209.7929239 211.2495977 212.2886191 215.3271267 217.0890764
220.6751906 221.1155833 224.2926330 225.7933302 227.9629697
228.2755468 231.0884507 233.6014022 237.2808941 238.6869618
242.1503001 246.0422311 247.6933051 250.2891329 254.1294011
255.9521404 257.9854674 259.3621296 261.6859363 262.7961701
265.5090020 267.7153157 272.0593084 272.9288397 274.3148754
276.6335552 278.3340001 283.1931324 283.8944295 288.2580171
289.4207908 292.3150753 293.4882143 294.2341074 296.3864358
299.2684990 302.1697951 305.6133449 306.9164777 308.0561527
311.9972709 315.2599566 317.9373576 321.9925749 323.2606718
325.7422947 327.2049587 330.7393376 331.7715842 334.6629852
337.5255097 339.2140049 342.2492095 344.6759188 346.6318473
348.8927787 350.6219983 355.5013630 356.9939491 358.3027099
359.2531936 361.0905192 362.5008172 362.8420505 362.9239508
363.8971697 368.4739784 370.5403480 371.4254389 372.2334969
376.5198753 378.2700200 379.9121205 380.8233364 380.8768559
383.8375755 386.7292487 387.2037780 389.5902237 392.7691776
393.7131851 395.5229650 397.1340244 398.6283625 400.7008842
401.9205728 403.8551192 405.0074186 409.4133336 412.6937325
413.6817819 413.9301390 415.2852510 416.3452639 420.3666864
420.9135578 421.1351056 423.1693611 425.5024440 429.1820737
431.8274668 433.2747497 434.3473138 435.3030998 435.7823292
436.2326014 439.3378925 440.6468150 442.5431611 442.8537716
444.2369504 446.0666232 446.6280520 448.9203447 450.4038026
452.1855476 453.5063888 455.1810197 456.4068909 457.9500336
459.5122505 460.8551235 463.9849599 464.9759814 467.6645259
469.1258209 470.6952115 472.2902565 473.8689210 477.6867030
478.9113367 479.3612517 480.4467674 480.8598503 484.8529015
485.3898808 487.3448897 488.7613359 489.3374157 491.1815391
493.5455423 493.8666140 496.7704581 497.8399298 498.3537671
499.3015093 500.8669843 503.0196219 504.3348737 505.8498869
505.9092315 506.9470415 507.8537646 508.7774711 510.9329792
513.7694632 514.7689869 517.3890477 518.7558395 518.9641068
520.4686127 520.6889476 521.7704029 522.3983113 525.1141705
526.8905809 529.7786381 530.1665551 531.3509475 531.7445017
533.5224199 535.1212297 536.8576608 538.2185064 538.4034223
543.0615920 543.3236897 543.7406097 545.3010578 545.9248968
546.7427021 547.8532074 549.0395564 550.9739650 552.1807441
553.6379387 555.5448704 557.3850727 560.3781044 560.6062899
561.6343467 563.3581497 564.4636893 564.5848714 565.1980848
567.2723503 568.1518188 568.9672050 570.2476178 571.2893359
572.4112738 572.6902316 573.2955176 573.3446686 574.0801333
574.7129987 575.7511676 577.2866269 577.7441201 579.3593990
580.2292853 580.6760655 580.9953268 581.4228068 583.0096606
583.8018679 586.3006379 587.3086155 588.6105763 590.5808419
590.9352573 593.2787903 593.4337563 594.3312947 596.3287725
596.7445964 598.0588137 599.3584564 600.0259328 602.4618432
604.4066399 606.5246762 607.9679570 609.0980470 609.4691781
609.9417712 611.3601618 612.4773265 614.6045616 615.3623118
616.6438410 617.4955278 618.1988814 619.1145975 620.8767735
621.9697766 622.7089996 625.7386453 627.9799206 628.3812472
632.1024363 634.5662459 635.3444601 636.3264434 638.8938986
639.0851170 639.9645016 640.2624220 640.4828899 643.2048785
643.9730607 647.2622100 647.9810899 649.2274904 650.7016529
653.0325242 655.4794785 656.6808421 657.7228302 659.6143067
660.8984702 662.5326316 665.5077041 665.7278857 666.4645188
667.7641841 668.7637056 672.2348835 674.5906270 675.2661820
677.6074337 681.4011432 682.0891527 682.8514278 684.0054125
685.8021120 686.8652885 687.3304784 690.1597717 692.3823165
693.5353828 695.1656080 697.9266606 698.7278311 699.8616827
700.6840839 701.8616326 702.6776372 705.9666205 706.8431077
707.8350158 707.9726043 710.7438382 712.3329127 712.7577759
713.9108964 716.1210530 717.1794763 718.2647896 719.0240701
719.3315182 719.7424525 720.5849297 721.2790243 721.8182059
723.5655065 727.3527080 727.7938756 729.4091482 729.8420784
731.1029239 734.0982392 734.6024091 736.4116866 738.5789296
739.9712509 742.3450103 742.9625138 744.8784826 746.3936310
747.8399927 748.6156671 749.7453013 750.6190821 751.5796325
754.8012505 756.2481203 756.8767234 757.9309521 760.3571631
762.3139655 763.4099383 765.6361277 766.9137654 768.5918955
770.8797807 772.5258034 774.1939022 775.1813203 775.3489366
776.2422177 778.0135332 778.3163306 784.0573258 785.8936264
787.0396829 788.8062964 789.2131688 791.5749306 791.9853295
793.3502700 794.4568520 796.1438388 797.0351090 799.1053533
800.6147473 801.8279008 803.9455628 804.8511308 806.5117680
808.2069952 809.3933164 810.5007511 813.3851407 814.9985716
815.9123785 816.8245793 817.4370463 818.1376418 821.4820002
821.9962845 823.2505818 825.4275410 825.7795703 826.2820883
828.8949088 829.2030479 830.1000502 831.3379022 832.7271730
833.6776832 834.4369178 836.5677982 837.0731801 837.3941594
839.1428370 841.7517772 842.0954138 843.1297645 844.5543310
845.6429134 847.6792385 848.4705297 850.5731323 852.5217196
852.5489937 854.9634423 855.2323198 856.6691674 857.6180964
858.8167165 860.9434999 861.1839601 862.0156621 864.4388811
865.1860635 867.0371268 870.6836435 870.9545278 871.7072664
875.0926622 875.3382004 875.6532106 876.9840311 879.2403316
880.5405390 882.6848750 883.8329249 885.3515055 886.5800780
888.3026041 888.5032121 889.9741305 891.3558358 892.5267417
893.1380417 894.2226060 897.5134904 899.1586960 902.1797002
905.5487209 906.3136867 908.6133143 910.4065093 911.4455540
914.1379724 918.1051841 921.5615439 923.1382026 924.9971256
927.4925788 927.9406235 928.8017039 930.5515854 933.2690028
934.1810090 938.1081513 938.2919145 941.2002735 942.5996790
942.7971952 944.6788019 947.8142530 951.1392440 951.5251847
951.8655078 953.4109030 956.3887796 958.5541346 959.4369429
960.6343235 963.4517737 965.3939588 968.6968214 969.9069688
970.3611404 973.7575281 974.4114224 977.0663580 977.2759093
978.2235943 978.8604115 980.2384797 984.1347687 984.5475288
988.8209167 991.0439189 991.4103258 992.7375464 994.6270250
998.3690663 999.7074920 1001.4720153 1004.4365355 1004.6726048
1005.9711770 1011.1239088 1012.6940972 1015.3736117 1019.5791863
1021.9975879 1025.5366166 1028.1402480 1031.6117725 1035.8610249
1039.1756079 1040.4709898 1042.3964660 1044.5222405 1045.4972578
1049.9668591 1051.3247945 1053.0530882 1058.4263725 1059.1248293
1062.6923102 1068.6037442 1071.5718106 1077.8198717 1078.5207898
1082.9859878 1092.2418600 1096.0997841 1101.8342821 1103.0727821
1110.2782523 1116.4475445 1118.0051696 1132.2885112 1138.2260655
1143.1089210 1147.1424023 1149.8500441 1157.1705112 1158.6100437
1172.6835373 1194.3348063 1206.9108637 1227.2797625 1236.0472374
1263.0219540
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240414222520177412.eigenfacs
Openam> file on opening on unit 10:
240414222520177412.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240414222520177412.atom
Openam> file on opening on unit 11:
240414222520177412.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 = 180
First residue number = 1
Last residue number = 288
Number of atoms found = 202
Mean number per residue = 1.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9450E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9793E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9908E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0048E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0071E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 6.2084E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 7.6993E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1355
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1823
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2565
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2887
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3176
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3374
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4252
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4529
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4835
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5454
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6268
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6793
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7087
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8705
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9140
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9499
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.005
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.022
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.107
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.198
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.314
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.344
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.416
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.463
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.489
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.532
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.650
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.682
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.820
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.915
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 2.021
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 2.108
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 2.198
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 2.240
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 2.299
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 2.441
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 2.546
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.741
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.798
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.856
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.970
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 3.118
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 3.164
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 3.216
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 3.356
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 3.433
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 3.579
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 3.732
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.784
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.822
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.932
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.997
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 4.130
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 4.146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 4.266
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 4.323
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 4.407
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 4.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 4.529
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 4.628
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.831
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.973
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 5.134
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 5.203
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 5.312
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 5.477
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 5.556
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 5.644
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 5.705
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 5.807
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 5.857
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.978
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 6.078
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 6.277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 6.317
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 6.381
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 6.490
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 6.570
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 6.801
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 6.835
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 7.046
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 7.103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 7.246
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 7.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 7.342
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 7.449
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 7.595
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 7.743
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 7.921
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 7.988
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 8.048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 8.255
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 606 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 : 0.062084
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= 0.504 for 201 C-alpha atoms.
Bfactors> = 8.663 +/- 14.40
Bfactors> = 17.557 +/- 5.14
Bfactors> Shiftng-fct= 8.894
Bfactors> Scaling-fct= 0.357
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240414222520177412 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=0
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=100
240414222520177412.eigenfacs
240414222520177412.atom
making animated gifs
11 models are in 240414222520177412.7.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 240414222520177412.7.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 240414222520177412.7.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 240414222520177412 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=0
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=100
240414222520177412.eigenfacs
240414222520177412.atom
making animated gifs
11 models are in 240414222520177412.8.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 240414222520177412.8.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 240414222520177412.8.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 240414222520177412 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=0
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=100
240414222520177412.eigenfacs
240414222520177412.atom
making animated gifs
11 models are in 240414222520177412.9.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 240414222520177412.9.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 240414222520177412.9.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 240414222520177412 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=0
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=100
240414222520177412.eigenfacs
240414222520177412.atom
making animated gifs
11 models are in 240414222520177412.10.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 240414222520177412.10.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 240414222520177412.10.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 240414222520177412 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=0
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=100
240414222520177412.eigenfacs
240414222520177412.atom
making animated gifs
11 models are in 240414222520177412.11.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 240414222520177412.11.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 240414222520177412.11.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 240414222520177412 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=0
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=100
240414222520177412.eigenfacs
240414222520177412.atom
making animated gifs
11 models are in 240414222520177412.12.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 240414222520177412.12.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 240414222520177412.12.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 240414222520177412 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=0
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=100
240414222520177412.eigenfacs
240414222520177412.atom
making animated gifs
11 models are in 240414222520177412.13.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 240414222520177412.13.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 240414222520177412.13.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 240414222520177412 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=0
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=100
240414222520177412.eigenfacs
240414222520177412.atom
making animated gifs
11 models are in 240414222520177412.14.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 240414222520177412.14.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 240414222520177412.14.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 240414222520177412 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=0
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=100
240414222520177412.eigenfacs
240414222520177412.atom
making animated gifs
11 models are in 240414222520177412.15.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 240414222520177412.15.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 240414222520177412.15.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 240414222520177412 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=-20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=0
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=20
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=40
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=60
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=80
240414222520177412.eigenfacs
240414222520177412.atom
calculating perturbed structure for DQ=100
240414222520177412.eigenfacs
240414222520177412.atom
making animated gifs
11 models are in 240414222520177412.16.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 240414222520177412.16.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 240414222520177412.16.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
240414222520177412.10.pdb
240414222520177412.11.pdb
240414222520177412.12.pdb
240414222520177412.13.pdb
240414222520177412.14.pdb
240414222520177412.15.pdb
240414222520177412.16.pdb
240414222520177412.7.pdb
240414222520177412.8.pdb
240414222520177412.9.pdb
STDERR:
real 0m3.135s
user 0m3.118s
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: 240414222520177412.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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