*** ***
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 = 2402180056543250205.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 2402180056543250205.atom to be opened.
Openam> File opened: 2402180056543250205.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 = 182
First residue number = 97
Last residue number = 287
Number of atoms found = 200
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 1.981295 +/- 7.208085 From: -13.191000 To: 20.163000
= 15.894745 +/- 10.284961 From: -4.521000 To: 38.275000
= -11.752980 +/- 9.209533 From: -32.879000 To: 7.859000
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 6.1314 % Filled.
Pdbmat> 11055 non-zero elements.
Pdbmat> 1095 atom-atom interactions.
Pdbmat> Number per atom= 10.95 +/- 3.77
Maximum number = 20
Minimum number = 3
Pdbmat> Matrix trace = 21900.0
Pdbmat> Larger element = 76.0599
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 200 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) = 600
Diagstd> Number of non-zero elements 11055
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 21900.0000006
%Diagstd-Wn: Nb on non-zero elements there: 600
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 600 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 21900.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0016339 0.0614963 0.1029202 0.1111313
0.1419975 0.1959784 0.2115713 0.2471484 0.2916317
0.3086965 0.3299971 0.3651317 0.3917830 0.4194116
0.4833441 0.5243175 0.5509652 0.6404986 0.6925860
0.7395385 0.7709006 0.8547197 0.8817534 0.8961358
0.9779580 1.0124450 1.0765355 1.1264226 1.1769872
1.2139089 1.3246653 1.3996969 1.4709497 1.5562179
1.5995738 1.6825102 1.7499417 1.8441989 1.9025667
1.9384280 2.0300972 2.0505862 2.1220037 2.1868956
2.3321399 2.3808850 2.4279985 2.4960101 2.5718877
2.6051595 2.7749998 2.8592392 2.9461150 2.9656600
3.0186220 3.2198803 3.3677625 3.4503143 3.5598185
3.6604844 3.8372637 3.8671627 4.0785244 4.0890498
4.2618129 4.3178867 4.3800599 4.5156235 4.6099261
4.6765145 4.8372043 4.8888987 4.9670723 5.0207829
5.1135573 5.1672991 5.2590523 5.3534965 5.5029482
5.6124939 5.6908619 5.7442381 5.9089968 5.9501640
6.1404325 6.1600914 6.2484894 6.3321115 6.3886933
6.5698790 6.6113943 6.7156501 6.7465953 6.8252678
6.9915846 7.1231144 7.1448481 7.3140651 7.3691150
7.5183832 7.5951689 7.7119701 7.8186121 8.0064144
8.0751700 8.2569259 8.3773096 8.5532953 8.6328206
8.7721927 8.8114155 8.8829994 8.9618658 9.2055187
9.3627903 9.5906344 9.6019915 9.7242487 9.8774132
10.0023900 10.1572911 10.2422784 10.4692499 10.5985118
10.6326972 10.7308600 10.8407230 10.8904252 10.9549630
11.1406019 11.1678925 11.1730340 11.3373426 11.4772388
11.6780925 11.7290618 11.8856719 11.9616808 12.0227157
12.1966937 12.3093488 12.3788280 12.4246213 12.5292164
12.6207472 12.8327591 12.9531946 13.1993322 13.2773159
13.4089493 13.4934718 13.6324003 13.7459279 13.8117115
14.0727445 14.1382232 14.3382160 14.4511528 14.5955809
14.7119030 14.7640702 14.9883265 15.1842116 15.2547795
15.4982248 15.5215519 15.6505556 15.7044027 15.8696118
15.9280187 15.9801863 16.2702992 16.4168799 16.4827832
16.5567040 16.7721620 16.8712562 16.9296287 16.9935144
17.0303370 17.1859340 17.2289027 17.3333552 17.4268680
17.5653404 17.6117452 17.7547040 17.9267701 17.9828022
18.1038011 18.2355841 18.3707741 18.5584397 18.7206017
18.8167038 18.8775296 18.8968340 19.0482953 19.1961321
19.5592564 19.6456798 19.7246696 19.7605154 19.7778297
19.9356259 20.0324350 20.0432660 20.2292583 20.3718129
20.5855825 20.6466177 20.8536748 21.0301508 21.0820318
21.3494498 21.4179621 21.6134067 21.6773882 21.8518208
21.9355479 22.0191587 22.0483916 22.1779979 22.2508814
22.3101720 22.3648687 22.5416257 22.6379893 22.8111492
22.8197375 22.9897727 23.0639891 23.1240677 23.3565309
23.4042796 23.5395139 23.6559268 23.7541978 23.9256191
23.9892543 24.0491748 24.1349596 24.2510530 24.3416182
24.3934661 24.4795028 24.5851936 24.7908332 25.0072609
25.0307004 25.1316167 25.2542116 25.3737845 25.4274927
25.5253596 25.6416390 25.8909062 25.9274596 25.9906465
26.1342254 26.3011243 26.4698439 26.5266863 26.7244758
26.8218227 26.8996165 26.9599914 26.9638719 27.0962525
27.3176875 27.4965649 27.5880554 27.7300936 27.7503257
27.8710269 27.9896245 28.2023081 28.3854129 28.7503048
28.8898964 28.9674460 29.0818527 29.1284563 29.1936742
29.2834796 29.4414621 29.6599841 29.8263908 29.9780635
30.0396444 30.3029226 30.3895401 30.5169876 30.7299427
31.0153068 31.0806196 31.2134361 31.2740963 31.4129322
31.4843840 31.7649125 31.8596916 32.0448777 32.1488100
32.3226153 32.3644037 32.4350317 32.5562711 32.6643362
32.8740502 33.0341252 33.1120636 33.2177386 33.2988999
33.4955960 33.5621770 33.6436443 33.7472177 33.8424487
33.9998494 34.1792227 34.4416448 34.6196487 34.8345006
34.9000326 34.9885433 35.2702384 35.3302439 35.4916361
35.6031237 35.9185152 36.0638617 36.2402303 36.4473028
36.5198317 36.6889965 36.7990809 36.9129883 37.0494951
37.2414832 37.3603058 37.7056317 38.0025056 38.1987030
38.3105392 38.5396401 38.5858311 38.7001261 38.7632915
39.0901444 39.1660589 39.4075962 39.6256556 39.6563872
39.7944770 40.0391157 40.1581420 40.4100951 40.4196732
40.4750575 40.5572371 40.7606646 40.9663005 41.1558462
41.2307129 41.4885969 41.6084020 41.9644444 41.9864152
42.1324968 42.1711705 42.5380590 42.6238818 42.7558349
42.9668574 43.0506778 43.3388139 43.4441198 43.7108515
43.8080341 43.9266054 44.3895564 44.5390082 44.6563434
44.8976318 44.9830619 45.1584498 45.2515920 45.3919239
45.7252973 46.0153947 46.0533135 46.1896200 46.3548856
46.6259691 46.7487033 46.8542272 46.9206200 47.2465331
47.3144047 47.4521318 47.7719271 47.8552427 48.0169420
48.3598544 48.4891787 48.5677224 48.8641981 49.0548190
49.3005925 49.4351529 49.5762018 49.8155778 49.9721486
50.1132442 50.2679181 50.4001665 50.8129718 51.0130177
51.0905737 51.3025097 51.4362232 51.7990988 52.2184460
52.3396716 52.5275332 52.8326592 52.9284627 53.1310724
53.2022963 53.4827229 53.4849497 53.7543647 53.8221168
54.1754659 54.4241070 54.6489876 54.8530766 55.0359103
55.1733276 55.2631455 55.2859795 55.3104032 55.7400699
55.7690879 55.9073064 56.0966498 56.3045834 56.4747399
56.4965512 56.6806623 56.8209643 57.0603258 57.2998846
57.6566269 58.0034130 58.0091380 58.2493405 58.3677072
58.4084503 58.5967743 58.7124169 58.8108217 59.4567696
59.7336768 59.7943211 60.0028703 60.0760816 60.4328639
60.7064188 60.8919419 60.9403644 61.1900198 61.2783502
61.3851171 61.5489449 61.9526697 62.2552894 62.5282271
62.6988956 62.9279837 63.1651524 63.2801350 63.5893874
63.7893306 63.8911990 64.3117069 64.4442552 64.7398119
64.9031676 65.1402822 65.7437437 65.8554864 66.0587706
66.2741064 66.6081021 66.9826007 67.2950952 67.3155780
67.6833114 67.9137186 68.3120233 68.7319693 69.0096396
69.2931700 69.4702892 69.9139315 70.2294936 70.2669419
70.4418629 70.7802797 71.0798224 71.5088224 71.9692310
72.3637003 72.4658483 72.9476788 73.0538185 73.3580364
74.2758262 74.3502159 74.4831942 74.9247309 75.0897701
75.4447820 75.6211521 75.8219674 76.1889099 76.6314375
76.7623069 77.3178502 77.5444677 77.5545459 78.2269572
78.3049458 78.9669899 79.4979336 79.7136431 80.0883118
80.8012049 81.3037067 81.6712316 81.8127300 81.8589105
81.9979693 82.0529262 82.3971988 82.4811982 83.1617324
83.8063514 84.1637194 84.6474393 84.9536679 85.0804821
85.4543476 85.8448251 86.3193596 86.4247977 87.0211064
87.0953681 87.5377949 88.7801884 89.5430802 90.2346041
90.6410404 91.0093173 91.6611639 92.1136280 92.9933001
93.0725712 94.5826823 94.7563243 95.8789063 96.2773249
97.6755232 98.3894645 99.5249089 100.3734387 100.6967129
101.2078403 102.6944115 104.4131817 105.2815974 105.6586188
106.2020409 107.9772797 108.6897977 109.6286870 110.7585678
113.4127928 115.3513438 117.5099895 120.3912896 130.6558098
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034215 0.0034228 0.0034254 0.0034286 0.0034346
0.0034416 4.3893774 26.9289742 34.8373918 36.2004035
40.9199957 48.0728022 49.9486423 53.9851374 58.6425184
60.3338644 62.3807098 65.6175538 67.9701249 70.3259305
75.4959248 78.6307576 80.6041448 86.9069198 90.3716339
93.3846866 95.3442422 100.3938548 101.9691651 102.7974151
107.3879103 109.2649806 112.6702995 115.2513309 117.8097275
119.6432840 124.9822574 128.4731238 131.7025510 135.4660571
137.3401214 140.8556033 143.6504770 147.4684648 149.7839302
151.1889713 154.7225791 155.5013961 158.1861102 160.5865997
165.8336205 167.5577401 169.2074518 171.5609522 174.1491199
175.2719576 180.8950822 183.6202295 186.3889364 187.0061804
188.6686075 194.8566107 199.2810541 201.7086895 204.8845491
207.7612564 212.7189107 213.5460312 219.3041312 219.5869275
224.1777303 225.6476948 227.2664392 230.7566055 233.1536732
234.8315389 238.8319887 240.1047753 242.0168025 243.3217898
245.5595579 246.8465601 249.0284850 251.2546119 254.7375654
257.2605667 259.0504214 260.2624410 263.9685324 264.8864528
269.0882676 269.5186722 271.4455963 273.2559065 274.4740566
278.3389381 279.2169703 281.4098608 282.0574718 283.6972513
287.1329868 289.8212589 290.2630672 293.6802168 294.7833478
297.7539339 299.2705611 301.5629252 303.6407904 307.2658633
308.5823759 312.0358352 314.3023032 317.5864848 319.0594684
321.6246768 322.3429096 323.6496159 325.0831786 329.4726828
332.2751997 336.2938680 336.4929265 338.6283461 341.2847576
343.4370715 346.0861574 347.5310141 351.3606028 353.5230414
354.0927250 355.7234908 357.5398090 358.3584897 359.4187565
362.4512552 362.8949229 362.9784485 365.6376550 367.8866170
371.0916948 371.9006332 374.3752667 375.5704239 376.5273852
379.2419224 380.9893354 382.0630562 382.7690914 384.3768600
385.7783171 389.0051056 390.8262499 394.5220306 395.6857635
397.6423706 398.8936590 400.9419019 402.6079178 403.5701431
407.3659085 408.3125207 411.1902793 412.8065005 414.8642120
416.5140990 417.2519078 420.4088532 423.1471339 424.1292730
427.5001365 427.8217411 429.5959317 430.3343286 432.5919483
433.3872784 434.0964157 438.0191014 439.9877558 440.8700063
441.8574907 444.7232192 446.0350530 446.8060000 447.6482410
448.1329743 450.1754938 450.7379131 452.1021771 453.3200738
455.1175321 455.7183093 457.5641591 459.7760071 460.4939875
462.0406269 463.7192447 465.4349686 467.8062399 469.8456195
471.0500504 471.8107808 472.0519585 473.9399715 475.7755779
480.2545078 481.3143509 482.2809962 482.7190232 482.9304581
484.8531463 486.0289639 486.1603377 488.4108014 490.1286840
492.6935317 493.4233971 495.8914029 497.9852431 498.5991255
501.7514355 502.5558735 504.8436438 505.5903286 507.6204334
508.5919987 509.5603665 509.8985028 511.3949669 512.2345750
512.9165825 513.5449421 515.5703075 516.6711426 518.6434080
518.7410327 520.6700762 521.5098222 522.1886121 524.8067945
525.3429627 526.8585417 528.1597049 529.2556035 531.1618468
531.8677467 532.5315832 533.4805235 534.7620510 535.7596519
536.3299349 537.2749304 538.4335293 540.6806688 543.0356512
543.2900877 544.3841773 545.7103465 547.0007279 547.5793339
548.6321003 549.8803129 552.5465942 552.9365052 553.6098667
555.1369009 556.9066928 558.6900927 559.2896477 561.3708767
562.3923756 563.2073642 563.8390559 563.8796319 565.2621360
567.5671439 569.4223395 570.3688838 571.8352827 572.0438527
573.2865669 574.5050051 576.6836080 578.5526512 582.2593977
583.6712109 584.4540642 585.6070756 586.0761047 586.7318429
587.6336000 589.2165910 591.3992058 593.0559016 594.5618890
595.1722499 597.7747120 598.6284383 599.8823868 601.9718123
604.7603659 605.3967906 606.6889299 607.2781632 608.6246235
609.3164179 612.0249290 612.9373183 614.7161022 615.7121609
617.3742722 617.7732304 618.4469380 619.6017113 620.6291912
622.6183082 624.1323388 624.8681715 625.8644904 626.6286151
628.4766330 629.1009514 629.8640140 630.8328005 631.7222444
633.1896054 634.8576704 637.2901734 638.9348968 640.9144666
641.5170399 642.3300075 644.9105444 645.4589065 646.9314883
647.9467740 650.8103753 652.1258181 653.7184686 655.5834447
656.2354149 657.7535441 658.7395916 659.7583307 660.9771216
662.6874787 663.7438212 666.8042983 669.4241813 671.1499913
672.1317527 674.1384644 674.5423321 675.5406230 676.0916988
678.9361255 679.5950650 681.6873775 683.5708122 683.8358317
685.0254093 687.1277989 688.1483700 690.3037244 690.3855280
690.8583603 691.5593561 693.2915528 695.0381665 696.6442358
697.2775814 699.4547988 700.4639654 703.4545109 703.6386367
704.8616439 705.1850684 708.2459743 708.9600768 710.0566121
711.8067067 712.5006699 714.8810601 715.7490521 717.9429143
718.7405743 719.7125927 723.4952473 724.7121650 725.6661411
727.6239697 728.3158929 729.7343548 730.4865296 731.6183261
734.3000357 736.6256817 736.9291260 738.0188851 739.3380148
741.4966887 742.4719738 743.3094765 743.8359280 746.4148194
746.9507548 748.0371112 750.5535109 751.2077191 752.4757864
755.1579046 756.1669545 756.7791336 759.0854518 760.5646204
762.4675225 763.5073478 764.5957960 766.4394780 767.6429955
768.7259464 769.9113638 770.9234670 774.0741740 775.5964056
776.1857587 777.7939952 778.8069459 781.5493067 784.7065034
785.6168272 787.0254623 789.3080199 790.0233366 791.5339941
792.0643545 794.1490762 794.1656091 796.1632865 796.6648712
799.2756966 801.1077558 802.7611393 804.2587155 805.5979592
806.6030673 807.2593442 807.4261011 807.6044299 810.7352098
810.9462151 811.9505205 813.3242899 814.8302715 816.0605808
816.2181522 817.5470175 818.5582317 820.2805310 822.0006368
824.5555053 827.0315061 827.0723201 828.7829088 829.6245540
829.9140600 831.2509123 832.0707577 832.7677608 837.3286189
839.2761934 839.7021203 841.1651926 841.6782014 844.1737979
846.0822561 847.3741132 847.7109708 849.4456119 850.0584958
850.7987138 851.9332852 854.7228082 856.8077943 858.6839351
859.8550093 861.4244388 863.0462195 863.8313845 865.9396004
867.2999129 867.9921536 870.8438689 871.7408242 873.7375429
874.8391842 876.4357779 880.4860826 881.2340327 882.5930919
884.0304424 886.2552279 888.7431844 890.8139022 890.9494616
893.3796994 894.8990268 897.5194204 900.2739295 902.0906054
903.9418533 905.0963923 907.9817980 910.0286151 910.2712091
911.4035098 913.5901688 915.5212884 918.2799322 921.2313557
923.7525781 924.4043291 927.4724515 928.1469480 930.0774810
935.8775427 936.3460813 937.1830531 939.9567611 940.9914288
943.2132312 944.3150801 945.5680841 947.8533736 950.6020937
951.4134555 954.8500282 956.2483301 956.3104687 960.4472097
960.9258510 964.9794662 968.2181073 969.5307976 971.8066125
976.1222197 979.1527616 981.3633454 982.2131014 982.4902749
983.3244293 983.6538973 985.7153148 986.2176278 990.2778025
994.1084084 996.2256976 999.0844339 1000.8899936 1001.6367524
1003.8350643 1006.1259263 1008.9029342 1009.5189277 1012.9956503
1013.4277913 1015.9985345 1023.1829898 1027.5697130 1031.5299426
1033.8504499 1035.9486017 1039.6519295 1042.2147717 1047.1794484
1047.6256817 1056.0903966 1057.0593768 1063.3024535 1065.5094052
1073.2185077 1077.1336131 1083.3310095 1087.9393416 1089.6899040
1092.4519871 1100.4458717 1109.6166001 1114.2214454 1116.2147183
1119.0814881 1128.3958266 1132.1127211 1136.9919414 1142.8360879
1156.4485152 1166.2901542 1177.1523503 1191.4966169 1241.2510911
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402180056543250205.eigenfacs
Openam> file on opening on unit 10:
2402180056543250205.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402180056543250205.atom
Openam> file on opening on unit 11:
2402180056543250205.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 = 182
First residue number = 97
Last residue number = 287
Number of atoms found = 200
Mean number per residue = 1.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9275E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9353E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9501E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9687E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0044E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6339E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 6.1496E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1029
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1420
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1960
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2116
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2916
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3087
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3300
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3651
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3918
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4833
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6405
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6926
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7395
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8547
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8818
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8961
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9780
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.012
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.077
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.177
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.214
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.325
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.400
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.556
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.600
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.683
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.750
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.844
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.903
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.938
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 2.030
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 2.051
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 2.122
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.187
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.332
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.381
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.428
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.496
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.572
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.605
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.859
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.946
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.966
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 3.019
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.220
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.450
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.560
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.660
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.837
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.867
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 4.079
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 4.089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 4.262
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 4.318
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 4.380
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.516
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.610
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.677
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.837
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.889
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.967
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 5.021
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 5.114
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 5.167
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 5.259
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 5.353
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 5.503
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.612
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.691
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.744
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.909
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.950
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 6.140
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 6.160
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 6.248
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 6.332
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 6.389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.570
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.611
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.716
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.747
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.825
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.992
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 7.123
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 7.145
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 7.314
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 7.369
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 7.518
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 600 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 : 0.001634
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= 0.142 for 200 C-alpha atoms.
Bfactors> = 56.419 +/- 412.88
Bfactors> = 16.911 +/- 6.51
Bfactors> Shiftng-fct= -39.508
Bfactors> Scaling-fct= 0.016
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402180056543250205 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=0
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=100
2402180056543250205.eigenfacs
2402180056543250205.atom
making animated gifs
11 models are in 2402180056543250205.7.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 2402180056543250205.7.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 2402180056543250205.7.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 2402180056543250205 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=0
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=100
2402180056543250205.eigenfacs
2402180056543250205.atom
making animated gifs
11 models are in 2402180056543250205.8.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 2402180056543250205.8.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 2402180056543250205.8.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 2402180056543250205 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=0
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=100
2402180056543250205.eigenfacs
2402180056543250205.atom
making animated gifs
11 models are in 2402180056543250205.9.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 2402180056543250205.9.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 2402180056543250205.9.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 2402180056543250205 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=0
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=100
2402180056543250205.eigenfacs
2402180056543250205.atom
making animated gifs
11 models are in 2402180056543250205.10.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 2402180056543250205.10.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 2402180056543250205.10.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 2402180056543250205 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=0
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=100
2402180056543250205.eigenfacs
2402180056543250205.atom
making animated gifs
11 models are in 2402180056543250205.11.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 2402180056543250205.11.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 2402180056543250205.11.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 2402180056543250205 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=0
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=100
2402180056543250205.eigenfacs
2402180056543250205.atom
making animated gifs
11 models are in 2402180056543250205.12.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 2402180056543250205.12.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 2402180056543250205.12.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 2402180056543250205 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=0
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=100
2402180056543250205.eigenfacs
2402180056543250205.atom
making animated gifs
11 models are in 2402180056543250205.13.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 2402180056543250205.13.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 2402180056543250205.13.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 2402180056543250205 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=0
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=100
2402180056543250205.eigenfacs
2402180056543250205.atom
making animated gifs
11 models are in 2402180056543250205.14.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 2402180056543250205.14.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 2402180056543250205.14.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 2402180056543250205 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=0
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=100
2402180056543250205.eigenfacs
2402180056543250205.atom
making animated gifs
11 models are in 2402180056543250205.15.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 2402180056543250205.15.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 2402180056543250205.15.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 2402180056543250205 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=-20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=0
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=20
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=40
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=60
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=80
2402180056543250205.eigenfacs
2402180056543250205.atom
calculating perturbed structure for DQ=100
2402180056543250205.eigenfacs
2402180056543250205.atom
making animated gifs
11 models are in 2402180056543250205.16.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 2402180056543250205.16.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 2402180056543250205.16.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
2402180056543250205.10.pdb
2402180056543250205.11.pdb
2402180056543250205.12.pdb
2402180056543250205.13.pdb
2402180056543250205.14.pdb
2402180056543250205.15.pdb
2402180056543250205.16.pdb
2402180056543250205.7.pdb
2402180056543250205.8.pdb
2402180056543250205.9.pdb
STDERR:
real 0m3.041s
user 0m3.033s
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: 2402180056543250205.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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