*** ***
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 = 2404131437433984339.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 2404131437433984339.atom to be opened.
Openam> File opened: 2404131437433984339.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 = 185
First residue number = 96
Last residue number = 290
Number of atoms found = 185
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 103.388843 +/- 9.434298 From: 82.510000 To: 123.336000
= -69.120286 +/- 8.284647 From: -89.126000 To: -49.877000
= -263.967514 +/- 9.511599 From: -283.950000 To: -243.076000
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 5.8759 % Filled.
Pdbmat> 9066 non-zero elements.
Pdbmat> 884 atom-atom interactions.
Pdbmat> Number per atom= 9.56 +/- 3.13
Maximum number = 18
Minimum number = 3
Pdbmat> Matrix trace = 17680.0
Pdbmat> Larger element = 68.8809
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 185 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) = 555
Diagstd> Number of non-zero elements 9066
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 17680.0000006
%Diagstd-Wn: Nb on non-zero elements there: 555
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 555 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 17680.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0024577 0.0564059 0.0716860 0.1012528
0.1149940 0.1291070 0.1583724 0.1745049 0.1996574
0.2222486 0.2436679 0.2750777 0.2901354 0.3587277
0.3754795 0.4127577 0.4812026 0.5016206 0.5769057
0.5906106 0.6444896 0.6767011 0.7393794 0.8258912
0.8879029 0.9162069 0.9578004 0.9688230 1.0097665
1.0203215 1.0863398 1.1808927 1.2206875 1.3437650
1.3755590 1.4022343 1.4920516 1.5441714 1.6595478
1.8037547 1.8487684 1.8715558 1.9082849 2.0247961
2.0558203 2.1546786 2.2590254 2.3533185 2.4311436
2.4521500 2.5311538 2.6221416 2.6457365 2.7926455
2.8308889 2.8928235 2.9786723 3.1436976 3.2606945
3.3692744 3.4896675 3.5897642 3.6068099 3.7194222
3.8538457 3.8885388 3.9963621 4.0372130 4.1082838
4.2192977 4.2567338 4.3406815 4.3622286 4.5251842
4.5559313 4.7228754 4.7930852 4.8464591 4.9909854
5.0182926 5.1286347 5.2599600 5.4034104 5.4539122
5.4593295 5.5882677 5.6518120 5.7093057 5.8931902
5.9147934 6.0597797 6.1576134 6.2070755 6.3143710
6.4238139 6.4958995 6.6241268 6.6643261 6.8381653
6.9013413 6.9451713 7.0422809 7.1608801 7.3510931
7.3752715 7.4687393 7.5689110 7.6622468 7.7621112
7.8024186 7.9382143 8.1606794 8.2290636 8.3182437
8.4559502 8.4811113 8.6180212 8.6468236 8.7283391
8.8553937 8.9028831 9.1223028 9.2284578 9.3737422
9.4653696 9.6020885 9.7331621 9.8194526 9.8930835
10.0010311 10.0962610 10.2441503 10.3874597 10.5164678
10.6492386 10.7433515 10.8037967 10.8633199 11.0410944
11.0765499 11.2543726 11.3624733 11.4343820 11.5161916
11.6535099 11.7909516 11.8639083 11.9911209 12.0316965
12.1717553 12.2181129 12.3241014 12.6028688 12.7495437
12.8558294 12.9271929 13.0708094 13.2246412 13.3089785
13.4863341 13.5139047 13.5901485 13.6608119 13.7243141
13.9496842 14.0830285 14.1727122 14.2921088 14.3872650
14.5426602 14.6729900 14.8363595 14.9170705 15.1175510
15.1541584 15.2381737 15.3581784 15.5347686 15.6538185
15.7430185 15.8503089 15.9614494 16.0801544 16.3419289
16.5095842 16.6950208 16.7653800 16.8038820 16.9893306
17.0488037 17.1090748 17.1440267 17.2948196 17.4175567
17.5654265 17.6490188 17.7361817 17.9460562 18.0206398
18.2136908 18.2498973 18.4895735 18.5317162 18.7134178
18.8890182 19.0608164 19.1147319 19.2094555 19.2868234
19.4270490 19.5561924 19.6412857 19.7969724 19.9220125
20.0462281 20.2598600 20.4185071 20.4883773 20.5903689
20.6232390 20.8020668 21.0011192 21.1454576 21.2834483
21.3340834 21.4652574 21.7692570 21.8204741 21.8614897
21.9771583 22.0608768 22.2096609 22.3494631 22.4167361
22.5102100 22.6710200 22.7767066 22.8724994 22.9424537
23.2004275 23.2851458 23.5446419 23.6157971 23.6932999
23.8051020 23.8596814 23.9278278 24.1134359 24.1333098
24.2422547 24.4041506 24.5086680 24.6178693 24.6837935
24.7411854 24.8903599 24.9427196 25.0032383 25.1005588
25.2364871 25.2690544 25.4235788 25.4513177 25.6268532
25.6869946 25.8379912 26.0021253 26.0594153 26.1479963
26.2229842 26.2810799 26.3499979 26.4329921 26.7764489
26.8650893 26.9750666 27.0220349 27.1702957 27.3249838
27.5605488 27.7453899 27.8172736 27.9652667 28.1355984
28.2539201 28.3645648 28.4791606 28.5712533 28.8546973
28.9130638 29.0027127 29.1805419 29.2964375 29.3821543
29.4838437 29.5874551 29.7327988 29.8520925 29.9023385
30.0764407 30.1347533 30.4911781 30.6008108 30.6322057
31.0032668 31.0578112 31.2515111 31.3116626 31.4799737
31.8904467 31.9726865 32.1929024 32.2434558 32.3526435
32.6301856 32.7654908 33.0298194 33.1418102 33.4483927
33.5197234 33.7013311 33.9515811 34.0494338 34.1950420
34.2600192 34.4437036 34.5988158 34.8214919 34.8771296
35.1898124 35.3092176 35.4437301 35.6514946 35.7685356
35.8947009 35.9799542 36.0452866 36.2130576 36.2791466
36.4752045 36.6368437 36.7683139 36.7901934 37.0765109
37.2227497 37.3241596 37.4168631 37.4995339 37.8576660
38.0054067 38.1797265 38.3015357 38.5526615 38.6237272
38.8260960 38.9579943 39.1931667 39.4421528 39.5604681
39.6336482 39.8960916 39.9314924 40.0468898 40.2903095
40.5618464 40.5968057 40.7000110 40.8362267 41.0210115
41.1516471 41.3650020 41.6154829 41.8780314 41.9214451
42.1023791 42.2716892 42.4500596 42.6557733 42.8729090
42.9830190 43.1407872 43.5298088 43.6252269 43.9314870
44.3892772 44.5774229 44.7569112 44.8974346 45.0970895
45.2777909 45.5195629 45.6482503 45.8465251 45.9582615
46.2229037 46.2842850 46.4744419 46.5946156 46.7343224
46.9506732 47.0716580 47.3227816 47.3896149 47.6320994
47.8943984 48.1861002 48.2952701 48.4528620 48.6479118
48.8663132 49.0058921 49.1703783 49.4040621 49.5714094
49.6448035 49.7399771 49.9667428 50.4150870 50.6899043
50.8191386 51.0901788 51.2535363 51.3481921 51.6008880
51.7336833 51.9820390 52.0961838 52.1360106 52.4588823
52.6017372 52.8603802 53.2034338 53.2884331 53.6812796
53.9951655 54.1626593 54.2225925 54.4920483 54.6363029
54.7779335 55.1890813 55.2626853 55.4668706 55.5428968
55.7949849 55.9483509 56.1415913 56.4211475 56.6610812
56.8961898 57.1605679 57.3000135 57.5428964 57.9410235
58.0717256 58.4546486 58.5096038 58.9111157 59.3446498
59.5313691 59.7827580 60.1330652 60.4016298 60.6778349
60.9233591 61.1536213 61.5011967 61.8277175 62.0537750
62.1665759 62.4390899 62.7993733 62.9206692 63.1916219
63.4967994 63.6565410 63.8915277 64.2838181 64.6085237
64.7261548 64.8564454 65.2178710 65.2683538 65.5314303
66.0754078 66.2933278 66.5430367 66.9616153 67.0332979
67.4816900 67.7604821 67.9921695 68.1973109 68.6554346
68.6830760 69.6393374 69.8698511 70.2567638 70.5173559
70.7855636 71.1456341 71.6729106 72.2898397 73.3295941
73.5273576 73.8799118 74.1572279 74.4545052 74.7589945
75.1617341 75.5888177 76.6303938 76.7931758 77.6458676
78.1600888 78.6809912 79.0811841 79.8058891 79.9220304
80.4795587 80.6882446 81.0216273 81.5553496 82.3729544
82.9962603 83.1900967 83.8138597 84.8467014 85.5722227
86.0120006 86.5339022 87.2419572 88.0424502 88.9176761
89.0810786 89.6668408 90.6472467 91.0198676 91.4262667
92.4017542 93.1413494 93.8626525 94.5525466 95.6446390
96.2372835 97.4265590 100.7054695 102.6470088 103.5703902
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034290 0.0034309 0.0034349 0.0034381 0.0034414
0.0034454 5.3834442 25.7903641 29.0745176 34.5540453
36.8241551 39.0184683 43.2150560 45.3627152 48.5219164
51.1934938 53.6036604 56.9538335 58.4918853 65.0395841
66.5408546 69.7658453 75.3284881 76.9100288 82.4798157
83.4537552 87.1772656 89.3292600 93.3746429 98.6862616
102.3241225 103.9422390 106.2754103 106.8851829 109.1203504
109.6891832 113.1821988 118.0050222 119.9768684 125.8800593
127.3605384 128.5895190 132.6438758 134.9407233 139.8911231
145.8424744 147.6510464 148.5582147 150.0088512 154.5204380
155.6997288 159.3993447 163.2134083 166.5849001 169.3170080
170.0469300 172.7645170 175.8422989 176.6316684 181.4693093
182.7076324 184.6954719 187.4159912 192.5376470 196.0876937
199.3257802 202.8557424 205.7445033 206.2324052 209.4271686
213.1780274 214.1354136 217.0839395 218.1906374 220.1027656
223.0567465 224.0441072 226.2425260 226.8033643 231.0007602
231.7842184 235.9926769 237.7403260 239.0603528 242.5986772
243.2614394 245.9213096 249.0499742 252.4231940 253.6000587
253.7259776 256.7047352 258.1601081 259.4698673 263.6152364
264.0979740 267.3152274 269.4644570 270.5445529 272.8728499
275.2274551 276.7673964 279.4857037 280.3324682 283.9651720
285.2738958 286.1783413 288.1721136 290.5885382 294.4226673
294.9064602 296.7692706 298.7527965 300.5891833 302.5416775
303.3261859 305.9543904 310.2118897 311.5089213 313.1923177
315.7740865 316.2435389 318.7858666 319.3181323 320.8197421
323.1463222 324.0116428 327.9801207 329.8829309 332.4694793
334.0904556 336.4946250 338.7835069 340.2819550 341.5553697
343.4137412 345.0448628 347.5627713 349.9854229 352.1520555
354.3680505 355.9304746 356.9303536 357.9122510 360.8289223
361.4078105 364.2972764 366.0426735 367.1991177 368.5103770
370.7009117 372.8805307 374.0323540 376.0323176 376.6679903
378.8540085 379.5747790 381.2175721 385.5049761 387.7417808
389.3546181 390.4337887 392.5965881 394.9000871 396.1572805
398.7881429 399.1955637 400.3200861 401.3594899 402.2912675
405.5808749 407.5147287 408.8102393 410.5286172 411.8929913
414.1114209 415.9628938 418.2721555 419.4083296 422.2172780
422.7281713 423.8983635 425.5642464 428.0038496 429.6407118
430.8630810 432.3287780 433.8418500 435.4520988 438.9822283
441.2282883 443.6993198 444.6332958 445.1435573 447.5931321
448.3758732 449.1677252 449.6262910 451.5993397 453.1989521
455.1186477 456.2002962 457.3254226 460.0232612 460.9781955
463.4407948 463.9011971 466.9374710 467.4693062 469.7554611
471.9543277 474.0957146 474.7657550 475.9406594 476.8981445
478.6286574 480.2168896 481.2605202 483.1641120 484.6875729
486.1962607 488.7800819 490.6900743 491.5289048 492.7508069
493.1439598 495.2774139 497.6413972 499.3485858 500.9752566
501.5708342 503.1104419 506.6605418 507.2562088 507.7327262
509.0741546 510.0428509 511.7598898 513.3680391 514.1400912
515.2109128 517.0479378 518.2517100 519.3403813 520.1339620
523.0500816 524.0041915 526.9159252 527.7115322 528.5767497
529.8223853 530.4294157 531.1863633 533.2425896 533.4622889
534.6650365 536.4473794 537.5948935 538.7912214 539.5121534
540.1389955 541.7649047 542.3344377 542.9919743 544.0476963
545.5188107 545.8706898 547.5371900 547.8358094 549.7217508
550.3664195 551.9816667 553.7321040 554.3417828 555.2831411
556.0787982 556.6944392 557.4238836 558.3010487 561.9164811
562.8457935 563.9966743 564.4874693 566.0339271 567.6429352
570.0844706 571.9929770 572.7334671 574.2549707 576.0011608
577.2110503 578.3401486 579.5072491 580.4434645 583.3155336
583.9051926 584.8097308 586.5998621 587.7636000 588.6228241
589.6405331 590.6756747 592.1246984 593.3113680 593.8104784
595.5366592 596.1136968 599.6286606 600.7056924 601.0137597
604.6429716 605.1746156 607.0588448 607.6427837 609.2737405
613.2330904 614.0232905 616.1342440 616.6178201 617.6609804
620.3046720 621.5894275 624.0916612 625.1487876 628.0336403
628.7029427 630.4037785 632.7399880 633.6511503 635.0045702
635.6076001 637.3092205 638.7426229 640.7947828 641.3065094
644.1748369 645.2668099 646.4947322 648.3867791 649.4502078
650.5945927 651.3667464 651.9578544 653.4733460 654.0693698
655.8343327 657.2858853 658.4641543 658.6600396 661.2180633
662.5207826 663.4226572 664.2460301 664.9794362 668.1472696
669.4497330 670.9832625 672.0527677 674.2523409 674.8734931
676.6391817 677.7875311 679.8302068 681.9861982 683.0083152
683.6397481 685.8994532 686.2036936 687.1945025 689.2798490
691.5986527 691.8966244 692.7755369 693.9338668 695.5021272
696.6086956 698.4121805 700.5235655 702.7298629 703.0940179
704.6096701 706.0250034 707.5130133 709.2252520 711.0280870
711.9405638 713.2459478 716.4545746 717.2393850 719.7525829
723.4929725 725.0246277 726.4827953 727.6223714 729.2384131
730.6979603 732.6462347 733.6811280 735.2727862 736.1682383
738.2847405 738.7747775 740.2908338 741.2473384 742.3577649
744.0741076 745.0321744 747.0168749 747.5441897 749.4542766
751.5149794 753.8000640 754.6534818 755.8837304 757.4036294
759.1018808 760.1852350 761.4599312 763.2672172 764.5588392
765.1246225 765.8576780 767.6014742 771.0375713 773.1362135
774.1211445 776.1827589 777.4226648 778.1402121 780.0525628
781.0556533 782.9281991 783.7873244 784.0868644 786.5109927
787.5811697 789.5150656 792.0728216 792.7052881 795.6218658
797.9445608 799.1812203 799.6232617 801.6076379 802.6679689
803.7076506 806.7182145 807.2559827 808.7459380 809.3000054
811.1344790 812.2485139 813.6500199 815.6732830 817.4057890
819.0998988 821.0007384 822.0015612 823.7418665 826.5866020
827.5183749 830.2422061 830.6323837 833.4775455 836.5387552
837.8537458 839.6209254 842.0772829 843.9556187 845.8830415
847.5926866 849.1929307 851.6027666 853.8604293 855.4199676
856.1971027 858.0716677 860.5437110 861.3743727 863.2270314
865.3089538 866.3967176 867.9943867 870.6550274 872.8511511
873.6453787 874.5242399 876.9575854 877.2969306 879.0632084
882.7042272 884.1586300 885.8222573 888.6039531 889.0794523
892.0480651 893.8888580 895.4157512 896.7655278 899.7725520
899.9536622 906.1969484 907.6955143 910.2052810 911.8917577
913.6242689 915.9450239 919.3328968 923.2810268 929.8971588
931.1502401 933.3799434 935.1300728 937.0025466 938.9165755
941.4422310 944.1131713 950.5956202 951.6047353 956.8733384
960.0366270 963.2304239 965.6769429 970.0916143 970.7972434
974.1774526 975.4396702 977.4527239 980.6668779 985.5702864
989.2921031 990.4466668 994.1529390 1000.2596772 1004.5271671
1007.1051222 1010.1559458 1014.2802765 1018.9229410 1023.9749492
1024.9153883 1028.2795872 1033.8858442 1036.0086464 1038.3189338
1043.8434929 1048.0126940 1052.0628656 1055.9221387 1062.0026400
1065.2878114 1071.8498766 1089.7372827 1100.1918651 1105.1292822
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404131437433984339.eigenfacs
Openam> file on opening on unit 10:
2404131437433984339.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404131437433984339.atom
Openam> file on opening on unit 11:
2404131437433984339.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 = 185
First residue number = 96
Last residue number = 290
Number of atoms found = 185
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: 9.9709E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9824E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0024E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0043E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0067E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.4577E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.6406E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 7.1686E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1013
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1150
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1291
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1584
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1745
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1997
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2222
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2437
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2751
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2901
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3587
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3755
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4128
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4812
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5016
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5769
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5906
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6445
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6767
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7394
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8259
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8879
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9162
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9578
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9688
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.020
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.086
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.181
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.344
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.402
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.492
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.544
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.660
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.804
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.849
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.872
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.908
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.025
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.056
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.155
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.259
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.353
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.622
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.646
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.793
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.831
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 2.979
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.261
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.369
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.490
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.607
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.719
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.854
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.889
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.996
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.037
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.108
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.219
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.257
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.525
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.556
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.723
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.793
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.846
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.991
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.129
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.260
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.403
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.454
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.459
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.588
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.652
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.915
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.207
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.314
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.424
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.496
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.624
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.664
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.838
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.901
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 555 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 : 0.002458
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= 0.105 for 185 C-alpha atoms.
Bfactors> = 46.031 +/- 255.42
Bfactors> = 27.528 +/- 13.47
Bfactors> Shiftng-fct= -18.503
Bfactors> Scaling-fct= 0.053
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404131437433984339 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=0
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=100
2404131437433984339.eigenfacs
2404131437433984339.atom
making animated gifs
11 models are in 2404131437433984339.7.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 2404131437433984339.7.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 2404131437433984339.7.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 2404131437433984339 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=0
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=100
2404131437433984339.eigenfacs
2404131437433984339.atom
making animated gifs
11 models are in 2404131437433984339.8.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 2404131437433984339.8.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 2404131437433984339.8.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 2404131437433984339 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=0
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=100
2404131437433984339.eigenfacs
2404131437433984339.atom
making animated gifs
11 models are in 2404131437433984339.9.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 2404131437433984339.9.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 2404131437433984339.9.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 2404131437433984339 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=0
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=100
2404131437433984339.eigenfacs
2404131437433984339.atom
making animated gifs
11 models are in 2404131437433984339.10.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 2404131437433984339.10.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 2404131437433984339.10.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 2404131437433984339 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=0
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=100
2404131437433984339.eigenfacs
2404131437433984339.atom
making animated gifs
11 models are in 2404131437433984339.11.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 2404131437433984339.11.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 2404131437433984339.11.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 2404131437433984339 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=0
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=100
2404131437433984339.eigenfacs
2404131437433984339.atom
making animated gifs
11 models are in 2404131437433984339.12.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 2404131437433984339.12.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 2404131437433984339.12.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 2404131437433984339 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=0
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=100
2404131437433984339.eigenfacs
2404131437433984339.atom
making animated gifs
11 models are in 2404131437433984339.13.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 2404131437433984339.13.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 2404131437433984339.13.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 2404131437433984339 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=0
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=100
2404131437433984339.eigenfacs
2404131437433984339.atom
making animated gifs
11 models are in 2404131437433984339.14.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 2404131437433984339.14.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 2404131437433984339.14.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 2404131437433984339 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=0
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=100
2404131437433984339.eigenfacs
2404131437433984339.atom
making animated gifs
11 models are in 2404131437433984339.15.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 2404131437433984339.15.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 2404131437433984339.15.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 2404131437433984339 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=-20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=0
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=20
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=40
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=60
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=80
2404131437433984339.eigenfacs
2404131437433984339.atom
calculating perturbed structure for DQ=100
2404131437433984339.eigenfacs
2404131437433984339.atom
making animated gifs
11 models are in 2404131437433984339.16.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 2404131437433984339.16.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 2404131437433984339.16.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
2404131437433984339.10.pdb
2404131437433984339.11.pdb
2404131437433984339.12.pdb
2404131437433984339.13.pdb
2404131437433984339.14.pdb
2404131437433984339.15.pdb
2404131437433984339.16.pdb
2404131437433984339.7.pdb
2404131437433984339.8.pdb
2404131437433984339.9.pdb
STDERR:
real 0m2.420s
user 0m2.416s
sys 0m0.004s
../../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: 2404131437433984339.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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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