*** ***
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 = 2404140207204123953.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 2404140207204123953.atom to be opened.
Openam> File opened: 2404140207204123953.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 = 205
First residue number = 88
Last residue number = 292
Number of atoms found = 213
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 0.654239 +/- 8.914656 From: -22.499000 To: 20.356000
= 0.490732 +/- 8.921031 From: -22.297000 To: 20.234000
= -0.374732 +/- 10.700107 From: -18.370000 To: 22.385000
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 9.0953 % Filled.
Pdbmat> 18598 non-zero elements.
Pdbmat> 1925 atom-atom interactions.
Pdbmat> Number per atom= 18.08 +/- 6.09
Maximum number = 33
Minimum number = 3
Pdbmat> Matrix trace = 38500.0
Pdbmat> Larger element = 150.975
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 213 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) = 639
Diagstd> Number of non-zero elements 18598
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 38500.0000006
%Diagstd-Wn: Nb on non-zero elements there: 639
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 639 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 38500.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0825115 0.1896490 0.2809400 0.5505343
0.6139284 0.7283932 0.9003493 1.0575566 1.2482565
1.4563715 1.6396129 1.7266206 1.9102340 2.1348383
2.4798072 2.6998068 2.7272877 3.0444927 3.3722915
3.6546819 3.7823316 3.8275367 3.9383489 4.0606407
4.3862901 4.4370000 4.6234586 4.8537181 5.0775621
5.2889671 5.3624523 5.7176207 5.9674904 6.2300590
6.3250765 6.6733337 6.7705067 6.8956718 7.0420626
7.1791223 7.6768871 7.7913705 8.0824960 8.1869996
8.4711488 8.7769895 8.9068483 9.0850383 9.1828755
9.4649314 9.7077350 9.7763749 9.8141657 10.1933319
10.3796137 10.6104632 10.8797408 11.0794040 11.2122509
11.3711849 11.5533647 11.8911492 12.1522747 12.3336655
12.6787285 12.9251226 13.1111109 13.3746629 13.7187691
13.8431458 14.0457138 14.3307334 14.4588670 14.8125699
14.9696953 15.1132521 15.3280373 15.6544531 15.9453369
15.9981414 16.2039885 16.3976222 16.5533689 16.7043102
16.9559049 17.2403461 17.3260966 17.7057930 17.7995630
17.9512254 18.0332625 18.1595409 18.3554380 18.6877065
18.8644021 19.2518015 19.3548948 19.4832626 19.9195430
19.9971371 20.1576799 20.3838965 20.4762226 21.0159471
21.0917004 21.1877367 21.3686610 21.4170767 21.6523698
21.7738205 22.0437252 22.2454054 22.3419317 22.7258788
22.7929699 23.0323351 23.2837226 23.5049299 23.5684924
23.7347893 24.0894895 24.3398268 24.5905040 24.6340276
24.7559392 24.9819289 25.0604815 25.2873681 25.4592898
25.7293801 26.0065267 26.1018365 26.2639079 26.5956595
26.6791697 26.7549073 27.0538922 27.2467360 27.4018289
27.4851049 27.6784557 28.0536563 28.1774920 28.3458108
28.6112108 28.9116267 29.0088179 29.1420931 29.2674831
29.4053384 29.4861751 29.6005429 29.7594103 30.0399018
30.1864404 30.2163006 30.4193160 30.5259996 30.9552857
30.9993061 31.1174462 31.1696718 31.3328014 31.5909508
31.7925886 31.9435215 32.0640592 32.1786785 32.3636279
32.4279946 32.6653417 32.8714896 33.0063735 33.2462913
33.3397479 33.6232919 33.6883012 33.8051561 33.9841202
34.1747164 34.2599452 34.3566120 34.4704209 34.6517944
34.8654698 34.9610018 35.2668039 35.4157279 35.4993960
35.6322025 35.7817317 36.1411272 36.3866052 36.4579240
36.6069658 36.6342919 37.0110310 37.0967225 37.2793615
37.3896672 37.6213160 37.7294595 37.8790326 38.0711068
38.1658660 38.3191910 38.4134082 38.5654208 38.6880315
38.8683698 39.1897130 39.2517493 39.3639736 39.6029489
39.8349363 40.0196279 40.1121929 40.2646025 40.4637692
40.5985691 40.6817533 40.7774550 41.0476547 41.2071203
41.3702172 41.4243026 41.5321254 41.7460689 41.9084386
41.9991741 42.1638818 42.2522746 42.3766701 42.4434675
42.5973258 42.8042449 43.0127413 43.0886894 43.2480698
43.3682994 43.4679998 43.5712952 43.6539472 43.7336619
43.8468373 44.1077466 44.1369080 44.2434000 44.5867327
44.6359007 44.7261717 44.9658728 45.1517845 45.4434393
45.4944017 45.8389373 45.9973471 46.0470705 46.1405775
46.2195652 46.3766603 46.4683620 46.7053586 46.8271806
46.9694494 47.3029887 47.4290754 47.5394846 47.6227261
47.6491167 48.0915896 48.1629697 48.3122394 48.6105854
48.7845842 48.8519817 48.9605107 49.2319676 49.4563332
49.6069189 49.7061936 49.8615367 50.0599933 50.1994714
50.5049979 50.6131908 50.8171469 50.9885459 51.1268785
51.3065198 51.3187029 51.4410132 51.5477785 51.8231732
51.9268916 52.1139546 52.3915783 52.4998990 52.6183429
52.7950623 52.8544934 52.9303914 53.1809630 53.3246188
53.4852675 53.7628605 54.0200518 54.2187556 54.3359570
54.4896308 54.5691866 54.7111806 54.9071635 55.1891773
55.2538952 55.4563373 55.6579161 55.7765084 55.9227992
56.0202104 56.2813443 56.4406949 56.5742905 56.7277835
56.8504634 57.1963659 57.2367877 57.4618156 57.5868457
57.6995573 57.9393659 58.0900182 58.2261202 58.2752424
58.4441653 58.7275317 58.9816921 59.2855795 59.3033290
59.4510852 59.6077945 59.7344616 59.8448640 60.0517483
60.1944009 60.3033794 60.4800833 60.6248625 60.9777560
61.0252788 61.2228079 61.4615066 61.5339251 61.6980709
62.0241149 62.3116038 62.4044079 62.5887694 62.7786631
63.0093015 63.2889249 63.4449550 63.7805517 63.8731242
64.1554923 64.2838472 64.4508684 64.5831640 64.8695755
64.9232669 65.1767500 65.2372515 65.3798290 65.6535544
66.0486552 66.1264869 66.1910634 66.3625805 66.7605728
66.7629765 67.0351969 67.0898627 67.3818750 67.5653770
67.6167396 68.0024161 68.0862006 68.2035308 68.4622112
68.5958849 68.8715819 69.0235681 69.4010503 69.6408020
69.8854687 70.0290500 70.0679719 70.4135921 70.5160338
70.6173834 70.8053475 70.8506158 71.3167456 71.4557472
71.5395045 71.9017549 72.0702961 72.3616111 72.5209813
72.6643164 72.9591567 73.1353549 73.3258795 73.6282216
73.7033155 74.0257946 74.2114112 74.3450068 74.3980838
74.7801845 74.9746231 75.0473184 75.4278447 75.5969861
75.7228655 76.1476768 76.2479002 76.3262572 76.6203386
76.8312131 76.9055553 77.1400914 77.5094332 77.5396497
77.9099520 78.0241584 78.3246460 78.5062058 78.7639479
79.0042198 79.1285426 79.4868374 79.7700453 79.8947968
79.9734991 80.1411006 80.5488755 80.6865634 81.0043558
81.3095259 81.5727306 81.6422493 81.9151505 82.1202863
82.3205235 82.4457000 82.5803769 82.7485387 82.9423760
83.1472792 83.5137196 83.7014618 83.9032373 84.0139580
84.2513261 84.3599669 84.7115149 84.7954247 84.9221953
85.2325562 85.5775283 85.8895633 86.2415574 86.4129277
86.5330242 86.8166261 86.9699444 87.2833517 87.4245464
87.7164080 87.8956297 88.2341433 88.6231925 88.7646642
89.0596251 89.3984891 89.4294568 89.5505806 89.8658098
90.1101793 90.2366373 90.5483758 90.7778947 91.1878553
91.2385427 91.6282784 91.8424117 92.3234701 92.7924911
92.8654120 93.1337348 93.3366686 93.5459393 93.6535782
93.8828820 94.3108363 94.5654428 94.7242309 94.8626094
95.2538233 95.4410266 95.6922493 95.8867491 96.2039990
96.4192011 96.9198562 96.9900300 97.4180371 97.5187194
97.7437995 97.7909668 98.1441165 98.3274526 98.8209175
98.9755528 99.1686842 99.3662872 99.4942181 100.2570882
100.4595942 100.6159268 101.0627932 101.2000242 101.7179951
101.8990842 102.2950104 102.5674298 103.0249014 103.4319211
103.5246276 103.7476593 104.3000359 104.6747863 104.8382325
105.3456794 105.7350639 106.4562289 106.6268672 106.6556063
107.5610862 107.7330660 107.8187821 108.1971935 108.4034039
108.9161526 109.2776879 109.9677015 110.4906402 111.0389747
111.3926809 111.6310174 112.2000904 112.3898238 112.9444891
113.1387635 113.4119560 113.9923718 114.1928134 114.9774668
115.4005777 115.5503165 115.8285539 116.2737947 116.5087797
117.1114957 117.3813430 118.2927597 118.6225799 119.1723496
119.8136106 119.9438778 120.4881617 120.6667528 121.9071429
122.3215557 122.8225324 123.5145323 123.6962870 124.4858549
125.1474062 125.8296336 126.4823534 127.4976272 128.9000478
129.1396662 130.1790481 130.2235106 130.8532252 131.9872804
132.6927501 133.2624396 133.6590848 134.3513971 134.8924632
135.5395915 136.2174523 136.4484106 137.3130410 138.6218600
138.9550211 139.6282940 139.8660525 141.0283010 141.4392540
142.8075931 143.3546296 144.0121300 145.3121657 146.5427766
147.5770927 148.2156807 149.6649701 150.5080734 153.1071351
155.8442119 156.9380085 158.4184081 160.8030865 165.0119975
171.9623338 173.9256173 178.5756987 217.4441104
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034272 0.0034299 0.0034337 0.0034436 0.0034452
0.0034517 31.1926720 47.2901361 57.5575225 80.5726170
85.0852256 92.6783364 103.0388023 111.6727188 121.3241358
131.0482904 139.0483811 142.6900652 150.0854406 158.6637720
171.0032005 178.4274317 179.3332249 189.4753646 199.4150041
207.5965212 211.1908425 212.4491321 215.5025318 218.8227967
227.4280136 228.7388824 233.4956358 239.2393185 244.6937636
249.7357483 251.4646837 259.6587443 265.2718376 271.0449749
273.1040686 280.5218542 282.5568679 285.1566942 288.1676483
290.9584373 300.8762155 303.1113574 308.7223195 310.7117414
316.0577440 321.7125996 324.0837886 327.3095391 329.0672254
334.0827223 338.3406938 339.5347305 340.1903376 346.6996181
349.8532207 353.7223101 358.1826583 361.4543697 363.6149101
366.1829685 369.1046548 374.4615191 378.5507137 381.3654649
386.6634585 390.4025232 393.2013732 397.1336644 402.2099904
404.0291293 406.9744904 411.0829733 412.9166659 417.9366789
420.1474780 422.1572423 425.1464469 429.6494208 433.6228210
434.3402188 437.1256022 439.7296178 441.8129865 443.8227438
447.1526064 450.8875776 452.0075057 456.9334707 458.1418346
460.0895090 461.1396143 462.7513697 465.2406525 469.4326397
471.6467030 476.4649601 477.7389915 479.3206313 484.6575312
485.6005755 487.5459496 490.2740232 491.3830837 497.8170460
498.7134454 499.8475458 501.9771347 502.5454862 505.2984870
506.7136457 509.8445426 512.1715408 513.2815337 517.6731298
518.4367015 521.1518278 523.9881778 526.4713722 527.1827383
529.0393433 532.9777496 535.7399371 538.4916775 538.9680141
540.3000204 542.7605375 543.6131903 546.0684633 547.9216011
550.8203050 553.7789680 554.7927951 556.5125382 560.0162924
560.8948277 561.6904050 564.8201190 566.8296016 568.4405559
569.3036653 571.3026093 575.1617758 576.4298304 578.1489249
580.8492040 583.8906814 584.8712804 586.2132772 587.4730775
588.8550055 589.6638452 590.8063014 592.3896215 595.1748000
596.6247041 596.9197193 598.9216364 599.9709560 604.1749134
604.6043491 605.7553438 606.2634622 607.8478619 610.3467397
612.2914932 613.7431757 614.9000538 615.9981138 617.7658259
618.3798455 620.6387438 622.5940601 623.8701193 626.1334178
627.0128425 629.6734700 630.2819003 631.3740860 633.0431235
634.8158183 635.6069133 636.5029859 637.5563472 639.2314656
641.1993018 642.0771501 644.8791439 646.2393018 647.0022069
648.2113248 649.5699984 652.8240224 655.0373287 655.6789604
657.0178168 657.2629943 660.6339246 661.3982643 663.0244030
664.0045875 666.0583417 667.0149566 668.3357914 670.0281234
670.8614568 672.2076432 673.0335297 674.3639060 675.4350548
677.0074432 679.8002525 680.3380936 681.3099730 683.3749306
685.3735560 686.9605593 687.7545667 689.0599185 690.7620151
691.9116516 692.6201328 693.4343301 695.7279560 697.0780583
698.4562067 698.9126210 699.8216250 701.6217981 702.9849388
703.7455396 705.1241247 705.8628533 706.9011592 707.4580762
708.7391899 710.4584764 712.1866710 712.8151520 714.1322482
715.1242026 715.9457386 716.7959044 717.4754409 718.1302186
719.0588186 721.1950139 721.4333800 722.3031807 725.1003333
725.5000252 726.2332750 728.1767267 729.6804994 732.0333660
732.4437189 735.2119384 736.4812128 736.8791749 737.6269795
738.2580787 739.5116427 740.2424087 742.1276893 743.0949082
744.2228757 746.8606370 747.8553580 748.7253105 749.3805319
749.5881418 753.0604624 753.6191214 754.7860491 757.1130046
758.4668154 758.9905575 759.8331724 761.9366726 763.6708917
764.8326285 765.5975477 766.7929474 768.3174094 769.3870147
771.7248037 772.5509642 774.1059745 775.4103500 776.4614867
777.8243930 777.9167373 778.8432083 779.6510302 781.7309040
782.5127876 783.9209940 786.0062893 786.8184124 787.7054740
789.0271250 789.4711018 790.0377310 791.9055357 792.9743869
794.1679685 796.2262001 798.1284249 799.5949694 800.4587206
801.5898569 802.1748104 803.2177988 804.6551302 806.7189158
807.1917793 808.6691426 810.1375296 811.0001645 812.0630150
812.7699680 814.6620978 815.8145684 816.7795174 817.8867783
818.7706851 821.2577827 821.5479307 823.1613151 824.0563792
824.8624251 826.5747784 827.6486987 828.6177008 828.9671572
830.1677548 832.1778544 833.9766554 836.1223159 836.2474699
837.2885912 838.3913848 839.2817068 840.0569368 841.5077268
842.5066322 843.2689429 844.5035323 845.5137284 847.9709989
848.3013660 849.6731648 851.3279290 851.8293303 852.9647286
855.2155087 857.1952287 857.8333252 859.0995404 860.4018029
861.9808407 863.8913775 864.9556243 867.2402301 867.8693677
869.7855761 870.6552242 871.7855514 872.6798316 874.6127584
874.9746344 876.6810735 877.0878762 878.0458014 879.8819364
882.5255145 883.0453450 883.4764135 884.6203239 887.2689986
887.2849716 889.0920458 889.4544898 891.3880877 892.6010275
892.9402366 895.4832197 896.0347037 896.8064216 898.5055029
899.3822488 901.1878118 902.1816369 904.6452389 906.2064774
907.7969543 908.7290210 908.9815197 911.2206019 911.8832092
912.5382789 913.7519350 914.0439846 917.0458262 917.9390865
918.4769128 920.7993954 921.8779631 923.7392428 924.7559118
925.6693336 927.5454152 928.6647626 929.8736057 931.7886920
932.2637398 934.3010120 935.4716387 936.3132796 936.6474506
939.0496313 940.2696666 940.7253982 943.1073499 944.1641820
944.9499366 947.5968518 948.2202469 948.7073463 950.5332508
951.8403811 952.3007722 953.7517655 956.0322899 956.2186228
958.4991865 959.2014503 961.0467198 962.1599481 963.7380774
965.2069147 965.9660518 968.1505337 969.8737375 970.6318287
971.1097834 972.1268344 974.5968899 975.4295081 977.3485353
979.1878017 980.7713718 981.1892039 982.8277204 984.0575728
985.2565756 986.0053810 986.8103835 987.8146135 988.9709077
990.1917453 992.3712958 993.4861145 994.6828710 995.3389583
996.7440527 997.3864885 999.4625011 999.9573806 1000.7045780
1002.5315225 1004.5583076 1006.3880646 1008.4481545 1009.4495991
1010.1508214 1011.8047928 1012.6978234 1014.5208754 1015.3411184
1017.0345336 1018.0730030 1020.0315784 1022.2779084 1023.0935286
1024.7919649 1026.7397354 1026.9175515 1027.6127477 1029.4198217
1030.8185072 1031.5415637 1033.3218494 1034.6306346 1036.9642427
1037.2524044 1039.4654138 1040.6793089 1043.4012200 1046.0482017
1046.4591389 1047.9698537 1049.1109698 1050.2864204 1050.8905043
1052.1762311 1054.5716165 1055.9941454 1056.8803522 1057.6520456
1059.8306826 1060.8716196 1062.2669308 1063.3459412 1065.1035763
1066.2941941 1069.0589677 1069.4459181 1071.8029983 1072.3567134
1073.5935376 1073.8525435 1075.7897827 1076.7941170 1079.4927280
1080.3369948 1081.3905145 1082.4673644 1083.1639612 1087.3086019
1088.4061574 1089.2527029 1091.6688770 1092.4098023 1095.2018685
1096.1763315 1098.3038491 1099.7653100 1102.2151704 1104.3902805
1104.8851047 1106.0746370 1109.0152271 1111.0057886 1111.8728498
1114.5604921 1116.6184420 1120.4199137 1121.3175124 1121.4686165
1126.2190521 1127.1190503 1127.5673481 1129.5443257 1130.6201990
1133.2909643 1135.1703241 1138.7485951 1141.4529771 1144.2818298
1146.1028919 1147.3283416 1150.2490513 1151.2211915 1154.0584437
1155.0505578 1156.4442488 1159.3996773 1160.4185610 1164.3985293
1166.5390241 1167.2956040 1168.7001436 1170.9442100 1172.1268297
1175.1547061 1176.5078178 1181.0665295 1182.7118902 1185.4494274
1188.6345734 1189.2805686 1191.9758854 1192.8589494 1198.9742520
1201.0104276 1203.4673269 1206.8528197 1207.7404501 1211.5888930
1214.8039815 1218.1106668 1221.2659512 1226.1577049 1232.8828731
1234.0282730 1238.9843653 1239.1959341 1242.1884761 1247.5596517
1250.8893007 1253.5716449 1255.4358377 1258.6830207 1261.2149873
1264.2366212 1267.3940296 1268.4680155 1272.4806088 1278.5306423
1280.0661184 1283.1634962 1284.2555144 1289.5803807 1291.4579164
1297.6899168 1300.1729961 1303.1512269 1309.0199578 1314.5511463
1319.1821173 1322.0331852 1328.4810439 1332.2176357 1343.6711588
1355.6282756 1360.3772136 1366.7783871 1377.0270467 1394.9320125
1424.0064141 1432.1122412 1451.1304634 1601.2867306
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404140207204123953.eigenfacs
Openam> file on opening on unit 10:
2404140207204123953.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404140207204123953.atom
Openam> file on opening on unit 11:
2404140207204123953.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 = 205
First residue number = 88
Last residue number = 292
Number of atoms found = 213
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: 9.9609E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9766E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9987E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0056E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0066E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0103E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 8.2512E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1896
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2809
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5505
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6139
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7284
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9003
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.058
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.248
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.640
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.727
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 1.910
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.135
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.480
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.700
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.727
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.044
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.372
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.655
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 3.782
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 3.828
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 3.938
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.061
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.386
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.437
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 4.623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 4.854
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.078
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 5.289
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 5.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 5.718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 5.967
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.230
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.325
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 6.673
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 6.771
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 6.896
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 7.179
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 7.677
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 7.791
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 8.187
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 8.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 8.777
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 8.907
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 9.085
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 9.183
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 9.465
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 9.708
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 9.776
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 9.814
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 10.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 10.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 10.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 10.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 11.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 11.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 11.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 11.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 11.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 12.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 12.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 12.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 12.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 13.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 13.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 13.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 13.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 14.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 14.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 14.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 14.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 14.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 15.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 15.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 15.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 15.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 16.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 16.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 16.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 16.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 16.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 16.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 17.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 17.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 17.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 17.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 17.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 18.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 18.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 18.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 18.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 18.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 19.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 19.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 19.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 19.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 20.00
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 639 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 : 0.082512
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= 0.398 for 213 C-alpha atoms.
Bfactors> = 3.068 +/- 14.87
Bfactors> = 23.734 +/- 5.33
Bfactors> Shiftng-fct= 20.666
Bfactors> Scaling-fct= 0.358
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404140207204123953 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=0
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=100
2404140207204123953.eigenfacs
2404140207204123953.atom
making animated gifs
11 models are in 2404140207204123953.7.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 2404140207204123953.7.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 2404140207204123953.7.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 2404140207204123953 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=0
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=100
2404140207204123953.eigenfacs
2404140207204123953.atom
making animated gifs
11 models are in 2404140207204123953.8.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 2404140207204123953.8.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 2404140207204123953.8.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 2404140207204123953 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=0
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=100
2404140207204123953.eigenfacs
2404140207204123953.atom
making animated gifs
11 models are in 2404140207204123953.9.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 2404140207204123953.9.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 2404140207204123953.9.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 2404140207204123953 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=0
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=100
2404140207204123953.eigenfacs
2404140207204123953.atom
making animated gifs
11 models are in 2404140207204123953.10.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 2404140207204123953.10.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 2404140207204123953.10.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 2404140207204123953 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=0
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=100
2404140207204123953.eigenfacs
2404140207204123953.atom
making animated gifs
11 models are in 2404140207204123953.11.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 2404140207204123953.11.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 2404140207204123953.11.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 2404140207204123953 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=0
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=100
2404140207204123953.eigenfacs
2404140207204123953.atom
making animated gifs
11 models are in 2404140207204123953.12.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 2404140207204123953.12.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 2404140207204123953.12.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 2404140207204123953 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=0
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=100
2404140207204123953.eigenfacs
2404140207204123953.atom
making animated gifs
11 models are in 2404140207204123953.13.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 2404140207204123953.13.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 2404140207204123953.13.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 2404140207204123953 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=0
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=100
2404140207204123953.eigenfacs
2404140207204123953.atom
making animated gifs
11 models are in 2404140207204123953.14.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 2404140207204123953.14.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 2404140207204123953.14.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 2404140207204123953 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=0
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=100
2404140207204123953.eigenfacs
2404140207204123953.atom
making animated gifs
11 models are in 2404140207204123953.15.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 2404140207204123953.15.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 2404140207204123953.15.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 2404140207204123953 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=-20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=0
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=20
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=40
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=60
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=80
2404140207204123953.eigenfacs
2404140207204123953.atom
calculating perturbed structure for DQ=100
2404140207204123953.eigenfacs
2404140207204123953.atom
making animated gifs
11 models are in 2404140207204123953.16.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 2404140207204123953.16.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 2404140207204123953.16.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
2404140207204123953.10.pdb
2404140207204123953.11.pdb
2404140207204123953.12.pdb
2404140207204123953.13.pdb
2404140207204123953.14.pdb
2404140207204123953.15.pdb
2404140207204123953.16.pdb
2404140207204123953.7.pdb
2404140207204123953.8.pdb
2404140207204123953.9.pdb
STDERR:
real 0m3.672s
user 0m3.648s
sys 0m0.024s
../../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: 2404140207204123953.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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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
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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
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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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