*** ***
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 = 2402172305203219097.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 2402172305203219097.atom to be opened.
Openam> File opened: 2402172305203219097.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 = 194
First residue number = 94
Last residue number = 288
Number of atoms found = 197
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.454995 +/- 10.400269 From: -21.607000 To: 20.709000
= 0.126421 +/- 9.168681 From: -20.850000 To: 18.951000
= 3.082695 +/- 8.136515 From: -13.571000 To: 18.687000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 5.5683 % Filled.
Pdbmat> 9741 non-zero elements.
Pdbmat> 951 atom-atom interactions.
Pdbmat> Number per atom= 9.65 +/- 3.26
Maximum number = 19
Minimum number = 4
Pdbmat> Matrix trace = 19020.0
Pdbmat> Larger element = 76.0156
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 197 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) = 591
Diagstd> Number of non-zero elements 9741
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 19020.0000006
%Diagstd-Wn: Nb on non-zero elements there: 591
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 591 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 19020.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0239819 0.0534550 0.0689828 0.0913230
0.1080951 0.1423119 0.1806151 0.2005415 0.2127775
0.2466459 0.2926514 0.3035747 0.3072950 0.3380800
0.3646658 0.4619702 0.4843727 0.5149330 0.5633106
0.6590122 0.6771616 0.7156177 0.7371782 0.8395302
0.8557462 0.8970171 0.9695021 1.0072440 1.0549464
1.0867343 1.1192620 1.2412912 1.2901635 1.3470407
1.3765130 1.3923170 1.4521697 1.5108380 1.5291821
1.5896245 1.6170548 1.7012676 1.7437599 1.8052821
1.8807215 1.9496108 2.0144535 2.0567266 2.1324009
2.2730946 2.3155819 2.4610797 2.4908686 2.6030686
2.7040779 2.7714579 2.8136162 2.8703900 2.9396407
2.9570165 3.1316890 3.1645148 3.2515623 3.3114089
3.3567464 3.3713434 3.4555046 3.5059924 3.5702899
3.6839692 3.8419765 3.9488333 4.0055703 4.0664719
4.1436587 4.1755455 4.2150514 4.2894709 4.3832212
4.4356160 4.5773349 4.6179116 4.7487785 4.7611422
4.8754773 4.9567752 5.0851356 5.1784953 5.2816923
5.2962331 5.4042789 5.4364473 5.5631302 5.6594308
5.7949447 5.8628194 5.9801642 6.0135469 6.0697176
6.1283380 6.2634525 6.2880238 6.4407529 6.5637955
6.5975493 6.6283946 6.7676655 6.8445880 6.8623127
6.9661137 7.0779218 7.1140742 7.1365100 7.2991455
7.4005187 7.6948274 7.7801635 7.8709142 8.0080416
8.2427792 8.3653514 8.3930177 8.5107149 8.6720891
8.7432646 8.7910355 8.8355296 8.9684236 9.0898805
9.2319370 9.2670358 9.4414329 9.5770493 9.6065071
9.6442807 9.7466760 9.8533501 9.9904459 10.0955438
10.1477796 10.4169180 10.5808325 10.6527433 10.7823103
10.8893371 10.9394217 11.0108783 11.0693585 11.1794463
11.2557774 11.4055333 11.6049972 11.7464024 11.8467905
11.9464272 12.0365226 12.0794893 12.1316891 12.3160593
12.4586227 12.6396462 12.9156822 12.9520813 13.0119297
13.2536890 13.2961258 13.3834167 13.4683353 13.5589765
13.5889550 13.7815147 13.8443265 13.8635058 14.0183082
14.1226299 14.2901963 14.4581241 14.5413432 14.6728764
14.7175417 14.8887882 14.9782333 15.1067859 15.2897486
15.3676580 15.4620856 15.6238930 15.8175104 15.9413776
16.0702499 16.1941990 16.2805323 16.3661656 16.4059068
16.5552738 16.6845082 16.7150934 16.8136717 16.9430136
16.9576751 17.0299112 17.2340063 17.3137856 17.4354507
17.5750550 17.6723632 17.7413662 17.7658358 17.8742428
17.9506099 18.0671373 18.3060441 18.4956696 18.5888968
18.6092141 18.8056060 18.9282005 19.0114612 19.1349137
19.2884614 19.3996276 19.5127047 19.5925807 19.8139238
19.8805633 20.1136925 20.1862610 20.2771137 20.4940791
20.5230765 20.7030483 20.8285237 21.0352253 21.0737329
21.3241715 21.4155679 21.4457404 21.4824985 21.6105079
21.6739187 21.8520394 21.9730667 22.2581491 22.3445006
22.3948251 22.4565251 22.5651285 22.6372471 22.6918672
22.7968366 22.8288871 22.9653728 22.9865416 23.0617448
23.1353803 23.1689087 23.3860617 23.4726351 23.6838895
23.7200237 23.9473971 24.0113526 24.1135617 24.1423193
24.3005770 24.4367450 24.5357970 24.7149552 24.7986226
24.8815913 24.8913654 25.0510040 25.1211395 25.3077893
25.4561890 25.5497752 25.5928589 25.6785087 25.7536751
25.8955835 26.0443303 26.2008575 26.2457656 26.3904298
26.4921346 26.6345706 26.7563119 26.7962762 26.8276782
26.9646749 27.0820144 27.1904007 27.4906672 27.5093049
27.6284897 27.7963392 27.8301561 27.9731960 28.0547666
28.1664692 28.3445705 28.3917973 28.5621349 28.6284188
28.8331005 28.8924177 29.1401399 29.2279714 29.4457296
29.6549013 29.8212591 29.9220590 30.1744201 30.3131879
30.4364999 30.5516524 30.6692258 30.7125122 30.7677713
30.8845861 30.9808477 31.2113692 31.2592875 31.4015080
31.5803767 31.8031129 31.8719504 32.0007850 32.0974545
32.1986590 32.3942505 32.4558265 32.5892196 32.6133414
32.9669656 33.2329011 33.3971843 33.5464691 33.7621537
33.8090706 33.9536613 34.0661701 34.1704357 34.3479066
34.4671453 34.5298701 34.7795652 34.9841753 35.1843458
35.2985247 35.3520333 35.4650535 35.4863317 35.5874081
35.7090164 35.7698860 35.9222718 35.9681043 36.0060765
36.3087869 36.4229750 36.7102166 36.7998630 36.8777878
37.0294564 37.2242189 37.3783963 37.4143168 37.7490250
37.8632470 38.0497886 38.1567369 38.2908367 38.4370977
38.5662792 38.7041338 38.7955507 38.8944648 38.9712585
39.3594180 39.5417706 39.8503878 39.9895361 40.1016923
40.1797224 40.3017405 40.5763745 40.6275031 40.9186608
40.9492610 41.2115232 41.2402476 41.4141657 41.7282142
41.8430771 42.0108400 42.0715945 42.2412892 42.2998542
42.4577753 42.5400298 42.7999221 42.9290336 43.1463927
43.3443463 43.5405705 43.6673469 43.7668224 44.2484377
44.2732637 44.4053035 44.7275897 44.9614782 45.1173848
45.2323070 45.2497529 45.3865541 45.5451803 46.0371251
46.2320782 46.3654584 46.4454980 46.7239270 46.7913656
46.8947824 47.1058830 47.3379544 47.4515661 47.6930150
47.9979747 48.2775352 48.4372190 48.6043438 48.6446452
48.8848686 48.9718579 49.1524939 49.2852928 49.4256253
49.5488441 49.6121128 49.7858348 49.9779239 50.1606359
50.4402756 50.5820853 50.8257841 51.0624515 51.3705903
51.5924894 51.6968558 51.7766646 51.9085025 52.2904193
52.4034845 52.6957918 52.8847797 52.9892388 53.4464099
53.5243826 53.6376582 53.8476938 54.0658515 54.3602973
54.5721491 54.5940351 54.8356054 54.9271125 55.0752853
55.5703650 55.7189446 55.8401157 56.1524387 56.3578682
56.4880726 56.5450141 57.0053007 57.1145746 57.1940356
57.4950902 57.7189596 58.0464395 58.4564105 58.5721905
58.8399309 58.9104635 59.2627038 59.7900451 59.9288288
60.1905000 60.3556595 60.9346324 61.1478161 61.2227663
61.4997821 61.6696623 61.6778520 62.0257906 62.2148737
62.3608690 62.8572995 63.0785177 63.1897171 63.3868233
63.5128961 63.9820083 64.1543775 64.2905609 64.3929687
64.5583921 64.9105699 64.9452912 65.1198097 65.5578294
65.8973960 66.0327255 66.3328098 66.8377359 66.9399400
67.3465965 67.5017488 67.8090124 67.9539452 68.2714815
68.6645470 69.2318021 69.4286015 69.6794661 70.0187714
70.3348357 71.0657859 71.2352067 71.5275664 71.6093522
72.1809921 72.8186505 72.9492802 73.2448278 73.7021890
74.0872695 74.3218231 74.8680087 75.0497110 75.7703504
76.1962260 76.4255300 77.4591179 77.7563246 77.9710652
78.2565897 79.0307880 79.4034184 79.5607135 80.3258337
80.8020445 81.6906120 81.8195658 82.3088983 83.3741457
83.8470548 84.4542609 84.9885119 85.1944295 85.8856924
86.1589681 86.9683509 87.5678670 88.3794793 89.1953431
89.4292452 90.6246881 91.7194175 92.8617269 93.2659166
93.5800227 94.5769076 95.4957102 96.5280888 97.4265857
100.5449897 100.9352108 103.2489888 103.5698297 105.1169085
108.9406608
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034204 0.0034269 0.0034301 0.0034315 0.0034332
0.0034412 16.8165664 25.1066832 28.5210562 32.8159837
35.7024647 40.9652834 46.1500638 48.6292373 50.0908220
53.9302214 58.7449590 59.8312501 60.1967447 63.1400608
65.5756798 73.8077985 75.5762082 77.9238913 81.5021822
88.1539936 89.3596435 91.8619811 93.2355456 99.4977911
100.4541225 102.8479521 106.9226384 108.9839701 111.5348197
113.2027479 114.8844256 120.9851651 123.3438957 126.0333961
127.4046980 128.1339902 130.8591126 133.4763198 134.2841903
136.9123285 138.0885437 141.6385885 143.3965245 145.9042099
148.9215414 151.6244528 154.1252878 155.7340457 158.5731684
163.7208650 165.2438675 170.3562692 171.3841625 175.2016085
178.5685131 180.7796002 182.1493856 183.9779321 186.1840212
186.7334649 192.1695585 193.1740763 195.8129100 197.6067106
198.9548561 199.3869714 201.8603489 203.3296751 205.1856667
208.4266637 212.8495002 215.7891870 217.3338922 218.9798563
221.0483447 221.8972362 222.9444769 224.9039820 227.3484375
228.7032042 232.3280379 233.3555245 236.6389550 236.9468044
239.7749733 241.7658143 244.8761838 247.1138415 249.5639377
249.9072329 252.4434790 253.1936872 256.1267220 258.3340534
261.4086344 262.9350836 265.5533810 266.2935403 267.5343334
268.8231322 271.7704129 272.3029636 275.5900915 278.2100412
278.9244609 279.5757236 282.4975742 284.0984963 284.4661089
286.6094864 288.9004111 289.6372910 290.0936476 293.3805316
295.4107948 301.2275729 302.8932824 304.6546908 307.2970849
311.7684139 314.0778974 314.5968347 316.7949878 319.7843052
321.0939273 321.9699181 322.7836843 325.2020966 327.3967523
329.9451094 330.5717221 333.6677530 336.0556047 336.5720391
337.2331048 339.0186150 340.8687887 343.2319567 345.0326063
345.9240797 350.4813427 353.2280632 354.4263570 356.5752483
358.3405870 359.1637218 360.3348450 361.2904714 363.0825917
364.3200117 366.7356073 369.9285077 372.1754461 373.7624213
375.3308839 376.7435258 377.4153559 378.2299504 381.0931712
383.2924791 386.0670512 390.2599244 390.8094536 391.7113308
395.3335463 395.9659470 397.2636055 398.5219439 399.8607118
400.3025082 403.1287351 404.0463585 404.3261345 406.5772577
408.0872902 410.5011488 412.9060581 414.0926697 415.9612836
416.5939108 419.0105477 420.2672763 422.0669222 424.6151175
425.6955630 427.0014179 429.2298417 431.8812449 433.5689823
435.3179702 436.9935391 438.1568243 439.3076340 439.8406862
441.8384073 443.5596023 443.9659711 445.2732056 446.9825930
447.1759469 448.1273723 450.8046681 451.8468909 453.4316898
455.2433675 456.5019059 457.3922587 457.7075778 459.1019174
460.0816216 461.5725288 464.6142568 467.0144412 468.1899520
468.4457424 470.9111205 472.4435712 473.4815159 475.0163241
476.9183951 478.2907443 479.6826560 480.6634533 483.3709263
484.1830957 487.0137053 487.8914663 488.9881654 491.5972945
491.9449565 494.0972394 495.5922715 498.0453206 498.5009789
501.4543039 502.5277836 502.8816662 503.3124527 504.8097882
505.5498669 507.6229719 509.0267636 512.3182226 513.3110418
513.8887587 514.5961800 515.8390141 516.6626729 517.2856101
518.4806746 518.8450171 520.3937000 520.6334867 521.4844475
522.3163274 522.6946671 525.1384591 526.1095731 528.4717709
528.8747584 531.4035340 532.1126618 533.2439802 533.5618569
535.3078020 536.8055028 537.8923467 539.8525958 540.7656034
541.6694682 541.7758481 543.5103872 544.2706910 546.2889119
547.8882333 548.8944282 549.3570237 550.2755025 551.0803007
552.5965017 554.1813129 555.8441420 556.3202942 557.8513803
558.9252849 560.4258124 561.7051490 562.1244856 562.4537596
563.8880285 565.1136046 566.2433104 569.3612688 569.5542396
570.7867102 572.5179163 572.8660712 574.3363775 575.1731583
576.3170721 578.1362760 578.6177112 580.3508349 581.0238516
583.0971957 583.6966795 586.1936327 587.0763925 589.2592922
591.3485304 593.0048816 594.0062544 596.5059039 597.8759529
599.0907777 600.2229993 601.3768231 601.8010636 602.3422119
603.4845736 604.4243178 606.6688425 607.1343683 608.5139412
610.2445839 612.3928280 613.0552283 614.2930424 615.2201851
616.1893284 618.0580227 618.6451561 619.9151645 620.1445463
623.4975734 626.0073151 627.5527067 628.9537170 630.9723842
631.4106409 632.7593717 633.8068601 634.7760586 636.4223414
637.5260537 638.1058885 640.4088935 642.2899115 644.1248001
645.1690980 645.6579151 646.6891728 646.8831427 647.8037526
648.9096378 649.4624674 650.8444081 651.2594746 651.6031579
654.3365045 655.3646141 657.9437315 658.7465916 659.4436805
660.7983479 662.5338573 663.9045002 664.2234283 667.1878820
668.1965167 669.8405031 670.7812187 671.9588964 673.2410273
674.3714114 675.5756015 676.3729658 677.2346653 677.9029062
681.2705475 682.8468909 685.5064667 686.7022388 687.6645402
688.3332458 689.3776217 691.7224969 692.1581648 694.6339186
694.8936040 697.1152987 697.3582008 698.8271009 701.4717409
702.4365282 703.8432712 704.3520229 705.7710861 706.2601714
707.5773094 708.2623816 710.4226011 711.4933352 713.2922838
714.9266877 716.5431324 717.5855476 718.4024231 722.3443013
722.5469122 723.6235657 726.2447868 728.1411422 729.4024865
730.3308561 730.4716853 731.5750503 732.8523637 736.7995942
738.3580063 739.4223256 740.0602738 742.2751969 742.8106815
743.6310968 745.3029749 747.1366208 748.0326524 749.9333530
752.3271528 754.5149072 755.7617018 757.0643960 757.3781998
759.2459891 759.9212175 761.3214377 762.3492031 763.4337697
764.3848031 764.8726668 766.2106378 767.6873533 769.0893488
771.2301611 772.3135336 774.1717578 775.9721079 778.3099064
779.9890789 780.7776002 781.3800437 782.3742175 785.2471025
786.0955958 788.2849726 789.6972578 790.4767862 793.8794301
794.4583124 795.2985390 796.8541421 798.4666913 800.6379875
802.1965850 802.3574281 804.1306234 804.8012917 805.8860871
809.5000969 810.5815628 811.4624632 813.7286211 815.2157449
816.1569035 816.5681545 819.8849243 820.6703698 821.2410529
823.3996157 825.0010995 827.3381924 830.2547184 831.0765217
832.9738301 833.4729317 835.9609895 839.6720959 840.6460479
842.4793330 843.6343999 847.6711021 849.1526234 849.6728766
851.5929722 852.7683342 852.8249562 855.2270618 856.5296322
857.5340225 860.9405029 862.4541573 863.2140211 864.5592741
865.4186267 868.6087782 869.7780188 870.7006882 871.3938771
872.5124506 874.8890711 875.1230329 876.2980425 879.2402542
881.5143917 882.4190840 884.4218783 887.7816114 888.4601220
891.1547098 892.1806352 894.2089039 895.1640203 897.2530514
899.8322615 903.5414869 904.8247862 906.4580023 908.6623286
910.7108671 915.4308873 916.5214311 918.4002744 918.9251815
922.5856678 926.6518420 927.4826320 929.3595399 932.2566148
934.6888775 936.1672787 939.6008938 940.7403942 945.2461738
947.8988818 949.3241078 955.7219352 957.5537079 958.8750399
960.6291018 965.3691953 967.6423782 968.6003349 973.2466136
976.1272911 981.4797761 982.2541347 985.1870046 991.5416890
994.3497900 997.9437509 1001.0952315 1002.3072683 1006.3653864
1007.9651684 1012.6885456 1016.1730337 1020.8713118 1025.5725081
1026.9163368 1033.7571890 1039.9822435 1046.4383762 1048.7132657
1050.4777384 1056.0581562 1061.1754931 1066.8961159 1071.8500236
1088.8686579 1090.9795941 1103.4132222 1105.1262920 1113.3496325
1133.4184631
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402172305203219097.eigenfacs
Openam> file on opening on unit 10:
2402172305203219097.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402172305203219097.atom
Openam> file on opening on unit 11:
2402172305203219097.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 = 194
First residue number = 94
Last residue number = 288
Number of atoms found = 197
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: 9.9209E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9590E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9775E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9857E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9954E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0042E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.3982E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.3455E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.8983E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 9.1323E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1423
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1806
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2005
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2128
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2466
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2927
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3036
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3073
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3381
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3647
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4844
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5149
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5633
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6772
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7156
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7372
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8395
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8557
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8970
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.055
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.087
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.119
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.241
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.290
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.347
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.377
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.392
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.529
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.617
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.701
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.744
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.805
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 1.881
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 1.950
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.057
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.273
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.316
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.491
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.603
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.704
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.771
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 2.814
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 2.870
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 2.940
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 2.957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.165
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.252
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.311
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.357
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.371
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.506
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 3.570
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 3.684
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 3.842
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 3.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.006
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.066
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.176
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.215
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.289
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.383
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4.436
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 4.577
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 4.618
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 4.749
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 4.761
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 4.875
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 4.957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.085
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.178
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.282
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.296
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.404
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 5.436
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 5.563
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 5.659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 5.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 5.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 5.980
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.128
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 591 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 : 0.023982
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= 0.115 for 197 C-alpha atoms.
Bfactors> = 14.470 +/- 27.70
Bfactors> = 12.897 +/- 8.31
Bfactors> Shiftng-fct= -1.573
Bfactors> Scaling-fct= 0.300
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402172305203219097 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=0
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=100
2402172305203219097.eigenfacs
2402172305203219097.atom
making animated gifs
11 models are in 2402172305203219097.7.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 2402172305203219097.7.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 2402172305203219097.7.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 2402172305203219097 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=0
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=100
2402172305203219097.eigenfacs
2402172305203219097.atom
making animated gifs
11 models are in 2402172305203219097.8.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 2402172305203219097.8.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 2402172305203219097.8.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 2402172305203219097 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=0
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=100
2402172305203219097.eigenfacs
2402172305203219097.atom
making animated gifs
11 models are in 2402172305203219097.9.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 2402172305203219097.9.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 2402172305203219097.9.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 2402172305203219097 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=0
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=100
2402172305203219097.eigenfacs
2402172305203219097.atom
making animated gifs
11 models are in 2402172305203219097.10.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 2402172305203219097.10.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 2402172305203219097.10.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 2402172305203219097 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=0
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=100
2402172305203219097.eigenfacs
2402172305203219097.atom
making animated gifs
11 models are in 2402172305203219097.11.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 2402172305203219097.11.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 2402172305203219097.11.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 2402172305203219097 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=0
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=100
2402172305203219097.eigenfacs
2402172305203219097.atom
making animated gifs
11 models are in 2402172305203219097.12.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 2402172305203219097.12.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 2402172305203219097.12.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 2402172305203219097 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=0
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=100
2402172305203219097.eigenfacs
2402172305203219097.atom
making animated gifs
11 models are in 2402172305203219097.13.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 2402172305203219097.13.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 2402172305203219097.13.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 2402172305203219097 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=0
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=100
2402172305203219097.eigenfacs
2402172305203219097.atom
making animated gifs
11 models are in 2402172305203219097.14.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 2402172305203219097.14.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 2402172305203219097.14.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 2402172305203219097 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=0
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=100
2402172305203219097.eigenfacs
2402172305203219097.atom
making animated gifs
11 models are in 2402172305203219097.15.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 2402172305203219097.15.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 2402172305203219097.15.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 2402172305203219097 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=-20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=0
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=20
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=40
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=60
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=80
2402172305203219097.eigenfacs
2402172305203219097.atom
calculating perturbed structure for DQ=100
2402172305203219097.eigenfacs
2402172305203219097.atom
making animated gifs
11 models are in 2402172305203219097.16.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 2402172305203219097.16.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 2402172305203219097.16.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
2402172305203219097.10.pdb
2402172305203219097.11.pdb
2402172305203219097.12.pdb
2402172305203219097.13.pdb
2402172305203219097.14.pdb
2402172305203219097.15.pdb
2402172305203219097.16.pdb
2402172305203219097.7.pdb
2402172305203219097.8.pdb
2402172305203219097.9.pdb
STDERR:
real 0m2.919s
user 0m2.911s
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: 2402172305203219097.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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