*** ***
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 = 2404111637373727596.atom
Pdbmat> Distance cutoff = 10.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2404111637373727596.atom to be opened.
Openam> File opened: 2404111637373727596.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 = 186
First residue number = 97
Last residue number = 290
Number of atoms found = 187
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 168.121786 +/- 9.081702 From: 146.970000 To: 187.481000
= -28.282786 +/- 8.745809 From: -48.466000 To: -6.633000
= -263.531144 +/- 9.533517 From: -283.576000 To: -242.860000
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 9.7950 % Filled.
Pdbmat> 15441 non-zero elements.
Pdbmat> 1591 atom-atom interactions.
Pdbmat> Number per atom= 17.02 +/- 5.48
Maximum number = 28
Minimum number = 5
Pdbmat> Matrix trace = 31820.0
Pdbmat> Larger element = 114.973
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 187 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) = 561
Diagstd> Number of non-zero elements 15441
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 31820.0000006
%Diagstd-Wn: Nb on non-zero elements there: 561
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 561 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 31820.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3597019 0.6510826 0.7658436 0.8816660
0.9825194 1.3881377 1.4640354 1.6590194 1.8406035
1.8547897 2.0184535 2.2879563 2.3023894 2.3310357
2.6060673 2.8627795 2.9148891 3.2811659 3.3758038
3.6090515 3.8802570 4.0284336 4.4078877 4.4891620
4.6379941 4.7390284 4.8001455 5.2623470 5.4308558
5.6935864 6.0113894 6.2131428 6.3608353 6.7702462
6.8649441 7.0653657 7.3024385 7.4665811 7.6734241
7.8090212 7.8933469 8.0184523 8.1546622 8.3123472
8.5359944 8.8982202 9.2999369 9.6383834 9.7942651
9.9514976 10.1091498 10.4375079 10.5995597 11.1240483
11.2444965 11.3419667 11.4480069 11.7036865 11.9281641
12.2726434 12.3268142 12.3671791 12.8209840 13.3067142
13.3152073 13.6063889 13.6752121 13.8310999 14.1687773
14.2294755 14.3428384 14.5151666 14.8341836 14.9541592
15.0286123 15.5166767 15.6399388 15.8360992 16.1761924
16.2607422 16.4421483 16.9386078 17.0892684 17.4740907
17.6879921 18.0696437 18.1811197 18.5604216 18.7502576
18.8640482 19.1225737 19.4310301 19.5490407 19.6456043
19.9165986 20.2298286 20.5273553 20.6255410 20.7733818
20.9261947 21.1830009 21.4082042 21.6024763 21.9358158
22.0998579 22.5052860 22.6049003 22.6627708 22.8299476
23.1880031 23.5576363 23.5807799 23.7150528 23.8871177
24.2221100 24.4525070 24.5678770 24.7271260 25.1921528
25.2990795 25.3436869 25.4545036 25.7494432 25.8482056
26.1344762 26.2507694 26.5673737 26.8326121 26.9163942
27.0308792 27.2128126 27.4854495 27.5164726 27.7357290
27.9653111 28.0942148 28.2996042 28.4797457 28.6560419
28.7229135 28.8911551 29.0525188 29.2337288 29.4420760
29.6288469 29.6965250 29.7600228 29.8476912 30.0275522
30.3696055 30.4188071 30.5870948 30.7978505 30.9367221
31.0225845 31.2386165 31.3816792 31.6018353 31.6485850
31.9546806 32.1608212 32.2504160 32.5085996 32.6819739
32.7752347 32.9564614 33.0784940 33.1809424 33.3425663
33.7947737 33.9272065 34.0852581 34.2549154 34.5622346
34.7308857 34.8430700 35.0131833 35.1301960 35.1632122
35.2611018 35.3763809 35.6512755 35.7153006 35.9080570
36.0427838 36.3680708 36.6553302 36.7262019 36.7503511
37.1831271 37.3172603 37.4353032 37.7758685 37.8705149
38.1915408 38.3084291 38.4527048 38.5596786 38.7818187
38.9024930 39.2239363 39.4209912 39.5005998 39.6155902
39.9784327 40.1074047 40.2411248 40.4214458 40.6096460
40.7214886 40.9320695 41.0430462 41.2717534 41.4333998
41.6573757 41.7759888 42.0047580 42.0168719 42.1675949
42.4006193 42.5085230 42.6577509 42.8146320 43.0150540
43.1038508 43.2837937 43.4928175 43.7568796 43.7806517
43.9427463 44.0805192 44.3083628 44.5409720 44.6742928
44.7632113 44.9631593 45.2595814 45.5215667 45.6049601
45.8716825 45.9029722 46.1614426 46.3828558 46.5072365
46.5658513 46.7909233 46.9330073 47.1884611 47.2955153
47.4064716 47.5699239 47.6892823 47.7391640 47.9139768
48.1970661 48.3597538 48.5856077 48.6710504 48.8388180
49.0833568 49.1380225 49.3615109 49.6303337 49.8459285
50.0080086 50.4372707 50.5572423 50.7196532 50.8340542
50.9395287 51.1344449 51.2894885 51.6616272 51.8846994
51.9825176 52.1106593 52.1339961 52.3461483 52.4303209
52.6445516 52.8377015 52.9485218 53.2214428 53.4592642
53.5518202 53.7303861 53.9564039 54.2339426 54.4364983
54.4720867 54.8144683 54.9312499 55.0749860 55.5162232
55.7149686 55.9755252 56.0763489 56.2680015 56.3409814
56.4328476 56.6648400 57.0168021 57.0472553 57.1824639
57.4155555 57.5487465 57.8116398 58.0665895 58.2143328
58.3665388 58.8068980 59.0301502 59.1610266 59.2613679
59.4100254 59.5405753 59.6693628 60.0080637 60.0882886
60.2016455 60.3643980 60.4799338 60.7104629 60.9567961
61.2206253 61.3833792 61.8533437 61.9437744 62.1474575
62.3357717 62.4726884 62.6908247 63.0478373 63.2894098
63.5161729 63.6803630 63.7485205 63.9621860 64.3870000
64.4507509 64.5996646 64.9184154 65.1529273 65.5598311
65.7514200 65.8812500 66.0842182 66.2765533 66.3373353
66.4814531 66.5886321 66.8535633 66.9285637 67.2917663
67.4934634 67.5557972 67.7286903 67.9375078 68.1937416
68.3845630 68.5386955 68.6433571 68.9092389 69.0039871
69.1322993 69.3005883 69.5710754 69.7058868 69.9811421
70.5128537 70.7968909 71.0615484 71.2212914 71.3429142
71.5178286 71.7263317 71.8256049 71.8847434 72.5916681
72.6673988 73.1412831 73.2693490 73.5013266 73.6928639
73.8374940 74.0498285 74.4737428 74.5342551 74.8549640
74.9590211 75.2286668 75.4964129 75.8758269 76.0960445
76.2422168 76.6678705 76.7697995 76.9976991 77.1602773
77.3702688 77.6817988 77.8635485 78.2775270 78.5052644
79.0206405 79.0582239 79.2048707 79.3958940 79.7593206
79.9242032 80.0289087 80.1884391 80.5418924 80.8576967
80.9228843 81.5436686 81.7002414 81.7977569 82.1524674
82.7541465 83.0694834 83.2362905 83.4185106 83.6653126
84.0106392 84.2476525 84.3710102 84.9588107 85.4395465
85.7213121 85.9502897 86.2855105 86.4182083 86.9012174
87.4849718 87.7070802 87.8605579 88.2831427 88.4520269
88.6426130 88.9812030 89.0543259 89.7061637 89.9038558
90.0322641 90.3304584 90.5882561 90.9251993 91.1934291
91.3817882 91.6306353 91.8816200 92.1325511 92.4133558
92.5552860 92.9597749 93.4484993 93.7788208 94.0613600
94.5686696 94.6737895 95.0164894 95.1886922 95.9049435
96.1336860 96.2783030 96.5330350 96.9480653 97.2213171
97.7119529 98.0928323 98.5461204 98.8812884 99.6167815
99.7657394 99.9482493 100.5074598 100.6763765 101.2399853
101.4363473 102.0105328 102.1357171 102.6170784 103.1871410
103.4736562 103.6195513 104.9523507 105.0371324 105.4217452
105.5606278 105.9979635 106.4824203 106.8899604 107.7789592
107.8887582 108.3907863 108.5662599 109.2838273 109.4009332
110.1162623 110.7818052 111.1125473 111.7365029 112.0390297
112.3492586 112.6757792 112.8391210 113.1667678 114.6340012
115.1543208 115.9391486 116.2087566 116.9924864 117.4470600
118.0355915 118.2972766 119.0190389 119.4366678 119.6847911
120.2907761 120.9077281 121.7664191 122.0263288 122.9616561
123.7347045 124.9010534 125.6519349 126.9486599 128.1549574
128.6117859 128.8650525 129.8385305 130.3159468 131.5665361
132.2931498 132.9008880 134.7018660 135.7191443 136.6285280
136.7919610 138.4333662 138.9518226 139.2191889 140.4540182
141.5182484 143.8358974 145.5689148 146.4087702 148.3709338
149.2771991 150.9629627 154.5431116 156.6450871 157.8932473
170.8239463
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034263 0.0034301 0.0034346 0.0034349 0.0034422
0.0034483 65.1278382 87.6220357 95.0310061 101.9641104
107.6380562 127.9415355 131.3926498 139.8688546 147.3246428
147.8912962 154.2782316 164.2552060 164.7724774 165.7943548
175.3024952 183.7338734 185.3985359 196.7022717 199.5188262
206.2964804 213.9072592 217.9532669 227.9872388 230.0794972
233.8623870 236.3958984 237.9153593 249.1064790 253.0634457
259.1124253 266.2457660 270.6767464 273.8749784 282.5514315
284.5206436 288.6440458 293.4467033 296.7263901 300.8083462
303.4544994 305.0885273 307.4967677 310.0975013 313.0812931
317.2651289 323.9267808 331.1580225 337.1299834 339.8452525
342.5622489 345.2650328 350.8275486 353.5405175 362.1818754
364.1374003 365.7122127 367.4178247 371.4981207 375.0438798
380.4208728 381.2595271 381.8832461 388.8265926 396.1235789
396.2499730 400.5592082 401.5709763 403.8533032 408.7534843
409.6280857 411.2565543 413.7197868 418.2414827 419.9293994
420.9734637 427.7545476 429.4501959 432.1349447 436.7505215
437.8904382 440.3262341 446.9244733 448.9076600 453.9338544
456.7037189 461.6045441 463.0262286 467.8312184 470.2176205
471.6422789 474.8631311 478.6776972 480.1290747 481.3134258
484.6217102 488.4176859 491.9962362 493.1714813 494.9358156
496.7529000 499.7916807 502.4413801 504.7159727 508.5951041
510.4932694 515.1545602 516.2934055 516.9538611 518.8570688
522.9100092 527.0613090 527.3201444 528.8193379 530.7342984
534.4428434 536.9785970 538.2438734 539.9855035 545.0394288
546.1948997 546.6762131 547.8700961 551.0350210 552.0907614
555.1395648 556.3733232 559.7184112 562.5054784 563.3829773
564.5798399 566.4766272 569.3072343 569.6284346 571.8933848
574.2554263 575.5773958 577.6775116 579.5132014 581.3040941
581.9819637 583.6839255 585.3116599 587.1342123 589.2227340
591.0886982 591.7633936 592.3957174 593.2676286 595.0524470
598.4320650 598.9166267 600.5710517 602.6365718 603.9937272
604.8313150 606.9335936 608.3217849 610.4518763 610.9032406
613.8503682 615.8271690 616.6843696 619.1479093 620.7967288
621.6818456 623.3982342 624.5513399 625.5177513 627.0393447
631.2771233 632.5128186 633.9844026 635.5602538 638.4048641
639.9605596 640.9932951 642.5561413 643.6289448 643.9313231
644.8270087 645.8802142 648.3847869 648.9667331 650.7156224
651.9352192 654.8704776 657.4516937 658.0869657 658.3032914
662.1680709 663.3613377 664.4096901 667.4250601 668.2606443
671.0870688 672.1132424 673.3776962 674.3136991 676.2532514
677.3045560 680.0970134 681.8032233 682.4913093 683.4839891
686.6068977 687.7135173 688.8589988 690.4006663 692.0060355
692.9583032 694.7477227 695.6888995 697.6245254 698.9893613
700.8760724 701.8731829 703.7923203 703.8937983 705.1551720
707.1008840 708.0000495 709.2416923 710.5446729 712.2058167
712.9405479 714.4271322 716.1500915 718.3208167 718.5159138
719.8448101 720.9723859 722.8332669 724.7281412 725.8119653
726.5339242 728.1547551 730.5510123 732.6623597 733.3331548
735.4744923 735.7252882 737.7937406 739.5610372 740.5519799
741.0185051 742.8071711 743.9341102 745.9559588 746.8016364
747.6771302 748.9649754 749.9040060 750.2960932 751.6685666
753.8858314 755.1571186 756.9184644 757.5837313 758.8882914
760.7858188 761.2093563 762.9384496 765.0131106 766.6729231
767.9183765 771.2071887 772.1238521 773.3630491 774.2347396
775.0375454 776.5189404 777.6952820 780.5115260 782.1948150
782.9318033 783.8962091 784.0717160 785.6654331 786.2968545
787.9016245 789.3456844 790.1730260 792.2068665 793.9748919
794.6619136 795.9856911 797.6580981 799.7069469 801.1989485
801.4608016 803.9756272 804.8316017 805.8838975 809.1056557
810.5526413 812.4457456 813.1771090 814.5655249 815.0936020
815.7578525 817.4329012 819.9676299 820.1865765 821.1579700
822.8299017 823.7837378 825.6631923 827.4817791 828.5338232
829.6162503 832.7399808 834.3191738 835.2435508 835.9515673
836.9994050 837.9185281 838.8242560 841.2015941 841.7637085
842.5573300 843.6954699 844.5024887 846.1104375 847.8252497
849.6580192 850.7866695 854.0373638 854.6614443 856.0654373
857.3614466 858.3025012 859.7996654 862.2443894 863.8946868
865.4409512 866.5588167 867.0224345 868.4742158 871.3534907
871.7847570 872.7913068 874.9419418 876.5208409 879.2536775
880.5374843 881.4063918 882.7630747 884.0467616 884.4520473
885.4122618 886.1256892 887.8867198 888.3846230 890.7918694
892.1258785 892.5377462 893.6791361 895.0557481 896.7420600
897.9958262 899.0072568 899.6934067 901.4341499 902.0536599
902.8919499 903.9902387 905.7527024 906.6298394 908.4181301
911.8626469 913.6973665 915.4035943 916.4319086 917.2140589
918.3377563 919.6754436 920.3116642 920.6904610 925.2064853
925.6889667 928.7023993 929.5150946 930.9853974 932.1976369
933.1119572 934.4526688 937.1235903 937.5042346 939.5190343
940.1718280 941.8613225 943.5359212 945.9038623 947.2755360
948.1849069 950.8280397 951.4598874 952.8710970 953.8765455
955.1736498 957.0947129 958.2137012 960.7575999 962.1541794
965.3072168 965.5367465 966.4318294 967.5965293 969.8085380
970.8104396 971.4461416 972.4139044 974.5546432 976.4633854
976.8569195 980.5966458 981.5376208 982.1232164 984.2503687
987.8480847 989.7284060 990.7216166 991.8054625 993.2715569
995.3192982 996.7223217 997.4517689 1000.9202884 1003.7481262
1005.4018620 1006.7437746 1008.7051004 1009.4804419 1012.2976078
1015.6919451 1016.9804562 1017.8698690 1020.3147680 1021.2902246
1022.3899108 1024.3406718 1024.7614763 1028.5050360 1029.6377085
1030.3727540 1032.0776835 1033.5493778 1035.4697382 1036.9959340
1038.0663340 1039.4787826 1040.9014225 1042.3218181 1043.9090217
1044.7103418 1046.9906709 1049.7392741 1051.5929457 1053.1758870
1056.0121619 1056.5989160 1058.5095251 1059.4682841 1063.4468205
1064.7142769 1065.5148175 1066.9234498 1069.2145342 1070.7202848
1073.4186259 1075.5086744 1077.9907793 1079.8224153 1083.8309116
1084.6409402 1085.6325996 1088.6654207 1089.5798633 1092.6254624
1093.6845607 1096.7756207 1097.4483792 1100.0314534 1103.0826917
1104.6130702 1105.3915335 1112.4778311 1112.9270768 1114.9628085
1115.6969929 1118.0057597 1120.5577335 1122.7000407 1127.3590951
1127.9331934 1130.5543977 1131.4691534 1135.2022114 1135.8102762
1139.5175313 1142.9559664 1144.6608584 1147.8702960 1149.4231761
1151.0134157 1152.6847973 1153.5199967 1155.1934994 1162.6580583
1165.2937021 1169.2579559 1170.6166785 1174.5574550 1176.8371107
1179.7820132 1181.0890782 1184.6866642 1186.7633328 1187.9954116
1190.9991284 1194.0494437 1198.2820329 1199.5602142 1204.1487304
1207.9279852 1213.6077214 1217.2502447 1223.5151199 1229.3144472
1231.5035404 1232.7155030 1237.3628592 1239.6356636 1245.5696017
1249.0043723 1251.8699701 1260.3236510 1265.0737279 1269.3049536
1270.0638888 1277.6610932 1280.0513856 1281.2823091 1286.9520451
1291.8185083 1302.3536272 1310.1758875 1313.9499619 1322.7254062
1326.7589290 1334.2293365 1349.9575322 1359.1070633 1364.5110551
1419.2851393
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404111637373727596.eigenfacs
Openam> file on opening on unit 10:
2404111637373727596.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404111637373727596.atom
Openam> file on opening on unit 11:
2404111637373727596.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 = 186
First residue number = 97
Last residue number = 290
Number of atoms found = 187
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: 9.9554E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9777E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0048E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0084E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3597
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7658
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8817
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9825
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.388
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.464
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.841
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.855
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.288
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.302
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.331
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.606
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.915
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.281
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.609
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 3.880
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.028
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.408
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.489
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.638
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.739
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 4.800
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.262
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 5.694
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.011
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.213
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.361
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.770
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.065
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.302
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.467
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.673
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 7.809
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 7.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.155
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 8.312
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 8.536
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 8.898
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.300
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 9.638
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 9.794
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 9.951
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 10.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 10.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 11.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 11.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 11.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 12.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 12.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 12.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 13.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 13.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 13.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 13.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 14.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 14.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 14.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 14.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 15.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 15.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 15.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 15.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 16.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 16.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 16.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 17.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 17.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 18.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 18.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 19.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 19.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 20.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 20.93
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 561 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 : 0.359700
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= 0.523 for 187 C-alpha atoms.
Bfactors> = 1.885 +/- 3.12
Bfactors> = 29.908 +/- 13.17
Bfactors> Shiftng-fct= 28.023
Bfactors> Scaling-fct= 4.223
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404111637373727596 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=0
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=100
2404111637373727596.eigenfacs
2404111637373727596.atom
making animated gifs
11 models are in 2404111637373727596.7.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 2404111637373727596.7.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 2404111637373727596.7.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 2404111637373727596 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=0
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=100
2404111637373727596.eigenfacs
2404111637373727596.atom
making animated gifs
11 models are in 2404111637373727596.8.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 2404111637373727596.8.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 2404111637373727596.8.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 2404111637373727596 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=0
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=100
2404111637373727596.eigenfacs
2404111637373727596.atom
making animated gifs
11 models are in 2404111637373727596.9.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 2404111637373727596.9.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 2404111637373727596.9.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 2404111637373727596 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=0
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=100
2404111637373727596.eigenfacs
2404111637373727596.atom
making animated gifs
11 models are in 2404111637373727596.10.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 2404111637373727596.10.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 2404111637373727596.10.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 2404111637373727596 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=0
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=100
2404111637373727596.eigenfacs
2404111637373727596.atom
making animated gifs
11 models are in 2404111637373727596.11.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 2404111637373727596.11.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 2404111637373727596.11.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 2404111637373727596 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=0
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=100
2404111637373727596.eigenfacs
2404111637373727596.atom
making animated gifs
11 models are in 2404111637373727596.12.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 2404111637373727596.12.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 2404111637373727596.12.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 2404111637373727596 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=0
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=100
2404111637373727596.eigenfacs
2404111637373727596.atom
making animated gifs
11 models are in 2404111637373727596.13.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 2404111637373727596.13.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 2404111637373727596.13.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 2404111637373727596 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=0
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=100
2404111637373727596.eigenfacs
2404111637373727596.atom
making animated gifs
11 models are in 2404111637373727596.14.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 2404111637373727596.14.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 2404111637373727596.14.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 2404111637373727596 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=0
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=100
2404111637373727596.eigenfacs
2404111637373727596.atom
making animated gifs
11 models are in 2404111637373727596.15.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 2404111637373727596.15.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 2404111637373727596.15.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 2404111637373727596 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=-20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=0
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=20
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=40
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=60
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=80
2404111637373727596.eigenfacs
2404111637373727596.atom
calculating perturbed structure for DQ=100
2404111637373727596.eigenfacs
2404111637373727596.atom
making animated gifs
11 models are in 2404111637373727596.16.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 2404111637373727596.16.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 2404111637373727596.16.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
2404111637373727596.10.pdb
2404111637373727596.11.pdb
2404111637373727596.12.pdb
2404111637373727596.13.pdb
2404111637373727596.14.pdb
2404111637373727596.15.pdb
2404111637373727596.16.pdb
2404111637373727596.7.pdb
2404111637373727596.8.pdb
2404111637373727596.9.pdb
STDERR:
real 0m2.564s
user 0m2.556s
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: 2404111637373727596.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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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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