*** ***
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 = 2404250724522542894.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 2404250724522542894.atom to be opened.
Openam> File opened: 2404250724522542894.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 = 189
First residue number = 1
Last residue number = 290
Number of atoms found = 200
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 1.844630 +/- 7.586258 From: -16.942000 To: 20.028000
= -15.539160 +/- 10.316292 From: -37.068000 To: 4.885000
= 11.923825 +/- 9.344824 From: -7.801000 To: 32.625000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> 1 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.8375 % Filled.
Pdbmat> 17737 non-zero elements.
Pdbmat> 1838 atom-atom interactions.
Pdbmat> Number per atom= 18.38 +/- 5.72
Maximum number = 31
Minimum number = 5
Pdbmat> Matrix trace = 36760.0
Pdbmat> Larger element = 123.973
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 200 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 600
Diagstd> Number of non-zero elements 17737
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 36760.0000006
%Diagstd-Wn: Nb on non-zero elements there: 600
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 600 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 36760.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3456167 0.7330654 0.8722913 0.8958899
1.0607113 1.3977548 1.5785723 1.6634749 1.8611919
2.0320864 2.1695419 2.3494440 2.8042683 3.0251262
3.0816908 3.3097686 3.5706365 3.9312691 4.1408389
4.1814883 4.6819828 4.8621845 4.9964595 5.4356349
5.4826946 5.8584154 6.2329896 6.3691110 6.4518865
6.6779263 6.9608017 7.0503001 7.3780070 7.5029245
7.6751290 7.8710493 8.0041349 8.3328092 8.5530543
8.7051744 8.9104437 9.1643076 9.2963411 9.7473728
10.0121622 10.1933119 10.4153326 10.5982130 10.7636768
10.8261738 11.2025573 11.6032756 11.6740551 11.8212158
12.3813661 12.6164575 12.7367803 12.8731128 13.1719655
13.2111242 13.6263937 13.8296424 14.0199238 14.4046048
14.6066188 14.8029425 14.8747885 14.9900601 15.4007868
15.4259083 15.8394232 15.8912080 16.1603032 16.3155509
16.5639376 17.0187223 17.0575456 17.5294617 17.6705920
17.8551658 18.0603115 18.3504601 18.7427493 19.0959968
19.3553463 19.4560678 19.9332006 20.1547239 20.2345448
20.5292091 20.6331049 20.7868205 21.3297386 21.3700887
21.5180547 21.8865628 21.9607157 22.1247420 22.4283073
22.6191818 22.9061931 23.0638594 23.3430663 23.3988841
23.6384935 23.9730685 24.0507982 24.0703277 24.5714932
24.6351357 24.8909393 25.0635859 25.2841138 25.4103216
25.5782099 25.8544663 25.9520851 26.2078950 26.5376056
26.6388779 26.8288862 27.1660073 27.3998243 27.4721959
27.6553623 27.9260400 27.9844077 28.0462246 28.5006775
28.6586458 28.7058411 28.7556223 29.1663374 29.2705477
29.3978416 29.5617395 29.6785060 29.7499313 29.8373862
30.0393685 30.2491873 30.3795442 30.5367360 30.6032593
30.7982514 31.2765896 31.3647984 31.5051329 31.8432356
31.8941902 31.9711021 32.0547560 32.2550952 32.5291687
32.6584025 32.8853471 32.9039609 33.0481762 33.3985691
33.4441559 33.8716002 34.0295126 34.2607438 34.3360943
34.4805072 34.6827058 34.9098855 35.0695184 35.2207002
35.5258359 35.7348085 36.0117928 36.2110776 36.4627864
36.5060242 36.7188347 36.8851612 37.1448659 37.3812590
37.5561549 37.6154134 37.7004828 37.9288925 38.1977971
38.3254042 38.3993718 38.5322362 38.7036207 38.8165403
38.9125036 39.1175177 39.4540410 39.6926225 39.7811742
39.9263097 40.0807971 40.1700801 40.4218279 40.4771071
40.6768472 40.8436033 41.1962152 41.3210408 41.4347394
41.4527687 41.7171812 41.8586322 42.0163407 42.1173534
42.2080250 42.4398753 42.8856139 42.9735773 43.0165068
43.1238669 43.3804395 43.4838813 43.6387628 43.6895381
43.9251268 44.1313065 44.1834876 44.4556299 44.6214367
44.6864154 44.8151254 44.9339014 45.3490871 45.4434026
45.7864262 45.8603113 45.9525860 46.0588854 46.3069491
46.4278131 46.7082272 46.8035574 46.8852413 46.9779917
47.0747334 47.3349440 47.4176520 47.6013720 47.7451402
47.9037953 48.0935713 48.1854037 48.3649148 48.4984761
48.5701739 48.6849264 48.8721314 49.0951309 49.1726546
49.1957594 49.4670516 49.6325228 49.6473258 49.8452595
49.9576118 50.1132161 50.4651025 50.6066039 50.7932542
50.8601800 51.0982505 51.2871738 51.4141734 51.4834446
51.7085827 51.8478116 52.0441249 52.3163776 52.5466337
52.5901752 52.7657613 52.8206829 52.9085299 53.2374635
53.5316093 53.6451921 53.9415082 54.1066597 54.2251250
54.3148479 54.4206865 54.6110928 54.7798329 55.0095886
55.1825475 55.3359234 55.3669081 55.4606253 55.9385586
56.0349116 56.2476550 56.4765285 56.9288728 57.1171149
57.5355742 57.6836123 57.7459761 57.8447286 57.9852099
58.1297598 58.1770489 58.3633098 58.5061270 58.7508406
58.9108800 59.0308645 59.2373630 59.7380695 59.9806060
60.0751341 60.4186370 60.6476338 60.8227915 60.9124655
61.1725946 61.3175670 61.4484580 61.5974392 61.8979798
62.1674339 62.3890305 62.5635897 62.6475876 62.8230780
62.8834463 63.1631183 63.4815438 63.6342868 63.8329551
63.8374021 63.8543776 63.9093803 64.2022549 64.2432058
64.3346615 64.4533775 64.6605360 65.1295855 65.2415753
65.3144976 65.5950709 65.6181958 65.9535389 66.1203431
66.2953568 66.3823331 66.5604870 66.8760084 67.0154224
67.0214784 67.4379622 67.5787391 67.7336476 67.8358606
67.9907712 68.1893087 68.4307511 68.5317089 68.9759026
69.1919411 69.4302873 69.5490603 69.6885437 69.9276826
70.1437869 70.3963946 70.5099167 70.8376990 71.0711576
71.1890441 71.4014322 71.5214246 71.8089169 72.1042563
72.3187384 72.5985607 72.7517250 72.8575192 73.2645131
73.3711741 73.6609173 73.7537830 74.0000157 74.4102064
74.5823922 74.5995448 74.8187842 75.3300100 75.3602207
75.7273678 75.9749526 76.1060650 76.5532185 76.6285384
76.7558104 76.8952039 77.2784801 77.7471723 77.9381232
78.0029007 78.2597970 78.3049935 78.7310532 78.8648804
79.0152518 79.2842628 79.4361611 79.5883443 79.5961337
79.8986747 79.9980030 80.0910445 80.5399644 80.8265398
80.9599246 81.3418864 81.4541540 81.7588654 82.3369242
82.4573077 82.7402461 82.9073836 83.3954869 83.5077424
83.7648061 83.9349012 84.1470073 84.2926404 84.3981412
84.5831854 84.9976961 85.2591121 85.5448847 85.7499882
86.0434419 86.2822107 86.5280316 86.9944057 87.0044346
87.1978048 87.5739319 88.1901732 88.2729312 88.3546254
88.5583352 88.7167706 89.1017381 89.1643138 89.2669832
90.0474537 90.1574329 90.3935686 90.8066146 90.9171696
91.2778987 91.6845967 91.7610990 92.0414139 92.2675350
92.5440369 93.0907740 93.3555756 93.6241717 94.1123536
94.1973200 94.2781801 94.4882935 94.8928351 95.3009135
95.4264331 96.0541450 96.1375296 96.4189480 96.7858082
96.9805128 97.6535965 97.7623637 98.0736088 98.1186262
98.6902126 99.0388607 99.1178743 99.3423751 99.5197467
100.1384862 100.5246488 100.9557053 101.0976580 101.6364651
101.8388776 102.2131001 102.4118249 102.9953359 103.2644389
103.7814120 103.8994292 104.2193900 104.3339232 104.5012496
104.7995914 105.2697032 105.8303010 106.1772443 106.3804550
106.7168113 106.9724760 107.6075594 108.0678957 108.1422697
108.4546093 108.6933443 109.0639835 109.5864600 109.7560982
110.2975643 110.7644337 111.0223651 111.3440466 111.7280726
112.2432526 112.9814544 113.3092504 113.6810075 114.3118658
114.5129911 115.1072203 115.3387798 116.1830112 116.6715921
116.8752281 117.1508992 117.8024961 118.1889562 118.2358658
118.9715946 119.7078678 119.7864273 120.1369905 121.2229731
122.0222708 122.2019765 122.7140184 123.7389892 124.0657613
124.2344724 125.2277901 125.7596050 125.9997568 126.6674947
127.4645643 127.8476969 129.3302218 130.4173340 130.6800583
131.1606113 131.7853574 131.8717384 132.9369463 133.7870627
134.4276650 135.5050182 136.6090394 137.3265976 138.7537230
139.6699801 140.1850955 141.2002230 142.1723575 142.7147273
143.6581637 144.0969254 145.1261278 146.4763238 146.5811003
148.1493012 148.2311822 149.3294633 149.7721699 151.9991314
153.8511758 154.1804320 156.8891055 157.4228781 161.1575828
162.7136511 164.6677806 167.4469411 169.0141720 184.1600944
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034100 0.0034186 0.0034310 0.0034405 0.0034457
0.0034529 63.8399640 92.9750952 101.4205695 102.7833126
111.8391568 128.3839626 136.4355435 140.0565458 148.1463183
154.7983650 159.9481796 166.4477116 181.8465483 188.8717620
190.6293704 197.5577603 205.1956258 215.3087435 220.9731207
222.0550855 234.9687935 239.4478812 242.7316825 253.1747676
254.2683513 262.8363098 271.1087176 274.0530807 275.8281828
280.6183654 286.5001870 288.3361412 294.9611459 297.4476680
300.8417601 304.6573056 307.2221187 313.4664024 317.5820109
320.3937382 324.1491932 328.7343662 331.0939954 339.0307334
343.6047973 346.6992784 350.4546695 353.5180581 356.2670063
357.2998041 363.4576948 369.9010662 371.0275425 373.3587661
382.1022224 385.7127495 387.5476511 389.6162545 394.1128299
394.6982201 400.8535609 403.8320236 406.6006853 412.1411271
415.0210530 417.8008374 418.8135069 420.4331648 426.1541630
426.5015882 432.1802954 432.8861947 436.5359672 438.6277985
441.9540042 447.9801355 448.4908123 454.6524864 456.4790279
458.8568550 461.4853283 465.1775624 470.1234652 474.5330304
477.7445630 478.9859959 484.8236526 487.5102002 488.4746159
492.0184506 493.2619020 495.0958806 501.5197578 501.9939035
503.7288023 508.0238031 508.8836818 510.7805926 514.2727693
516.4564738 519.7227631 521.5083560 524.6555025 525.2824049
527.9650547 531.6882880 532.5495565 532.7657302 538.2834845
538.9801357 541.7712101 543.6468593 546.0333245 547.3944142
549.1997785 552.1576192 553.1990287 555.9187864 559.4047478
560.4711261 562.4664233 565.9892560 568.4197633 569.1699565
571.0642282 573.8520771 574.4514629 575.0855880 579.7261250
581.3305044 581.8089777 582.3132408 586.4570719 587.5038333
588.7799377 590.4189294 591.5838343 592.2952694 593.1652059
595.1695167 597.2444682 598.5299781 600.0764558 600.7297237
602.6404935 607.3023700 608.1581494 609.5171619 612.7790026
613.2690818 614.0080764 614.8108428 616.7291046 619.3437546
620.5728181 622.7252786 622.9014911 624.2650611 627.5657169
627.9938633 631.9942655 633.4657591 635.6143212 636.3128987
637.6496168 639.5165178 641.6075895 643.0728604 644.4574862
647.2431053 649.1439444 651.6548794 653.4554807 655.7226824
656.1113479 658.0209570 659.5096026 661.8273004 663.9299227
665.4812766 666.0060895 666.7587694 668.7755101 671.1420328
672.2621375 672.9105542 674.0737071 675.5711232 676.5559103
677.3916945 679.1738002 682.0889690 684.1481822 684.9109019
686.1591606 687.4853615 688.2506483 690.4039294 690.8758519
692.5783676 693.9965398 696.9858149 698.0409591 699.0006606
699.1527208 701.3789992 702.5670809 703.8893487 704.7349609
705.4931408 707.4281375 711.1334317 711.8623664 712.2178444
713.1060624 715.2242880 716.0765157 717.3506479 717.7678583
719.7004799 721.3875998 721.8139596 724.0335060 725.3824687
725.9104349 726.9551012 727.9178084 731.2730266 732.0330707
734.7907040 735.3833280 736.1227818 736.9737041 738.9556343
739.9193653 742.1504794 742.9074477 743.5554449 744.2905479
745.0565116 747.1128639 747.7652915 749.2125016 750.3430541
751.5886997 753.0759773 753.7946159 755.1974133 756.2394454
756.7982328 757.6917163 759.1470700 760.8770617 761.4775560
761.6564332 763.7536402 765.0299822 765.1440592 766.6677780
767.5313350 768.7257306 771.4199394 772.5006922 773.9239723
774.4336707 776.2440702 777.6777328 778.6399978 779.1643593
780.8661508 781.9167116 783.3956133 785.4419867 787.1685422
787.4946084 788.8081416 789.2185529 789.8745623 792.3260920
794.5119435 795.3543900 797.5479861 798.7679706 799.6419345
800.3032194 801.0825805 802.4827648 803.7215850 805.4052920
806.6704594 807.7907227 808.0168470 808.7004063 812.1774294
812.8766075 814.4182386 816.0735031 819.3351235 820.6886202
823.6894553 824.7484441 825.1941559 825.8994447 826.9017233
827.9317631 828.2684601 829.5933015 830.6077041 832.3429829
833.4758785 834.3242216 835.7822409 839.3070522 841.0091191
841.6715642 844.0744261 845.6725053 846.8928272 847.5169049
849.3246537 850.3304619 851.2375535 852.2688376 854.3454633
856.2030116 857.7276267 858.9267131 859.5031179 860.7061094
861.1195472 863.0323232 865.2049995 866.2452592 867.5964284
867.6266485 867.7419998 868.1156459 870.1025091 870.3799591
870.9992685 871.8025209 873.2024195 876.3638152 877.1169418
877.6069937 879.4899539 879.6449682 881.8898255 883.0043222
884.1721609 884.7519662 885.9383990 888.0357548 888.9609011
889.0010668 891.7589970 892.6892862 893.7118417 894.3859119
895.4065436 896.7129136 898.2990359 898.9614348 901.8700744
903.2813378 904.8357711 905.6093828 906.5170460 908.0710879
909.4731550 911.1093194 911.8436565 913.9606610 915.4654844
916.2244165 917.5901479 918.3608441 920.2047451 922.0951358
923.4655547 925.2504086 926.2259148 926.8991202 929.4844193
930.1607607 931.9955563 932.5828631 934.1383159 936.7237573
937.8069237 937.9147567 939.2919572 942.4955162 942.6844889
944.9780285 946.5215346 947.3379037 950.1168220 950.5841119
951.3731949 952.2366804 954.6068934 957.4973520 958.6724612
959.0707741 960.6487874 960.9261433 963.5368105 964.3553736
965.2743020 966.9160661 967.8418656 968.7685141 968.8159200
970.6553845 971.2585459 971.8231919 974.5429786 976.2752372
977.0804588 979.3826368 980.0582729 981.8897091 985.3547170
986.0747896 987.7651156 988.7622682 991.6685828 992.3357825
993.8619728 994.8705430 996.1267842 996.9884093 997.6121301
998.7051713 1001.1493212 1002.6876898 1004.3666947 1005.5700154
1007.2891769 1008.6858120 1010.1216800 1012.8402295 1012.8986092
1014.0235847 1016.2082227 1019.7773883 1020.2557574 1020.7277579
1021.9037718 1022.8174823 1025.0342295 1025.3941046 1025.9842861
1030.4596686 1031.0887513 1032.4381553 1034.7942879 1035.4240155
1037.4760910 1039.7848130 1040.2185244 1041.8061598 1043.0850941
1044.6468531 1047.7281218 1049.2172227 1050.7255052 1053.4613283
1053.9367631 1054.3890220 1055.5633023 1057.8205296 1060.0926225
1060.7905100 1064.2737132 1064.7355613 1066.2927947 1068.3194139
1069.3934464 1073.0980400 1073.6954853 1075.4032843 1075.6500697
1078.7785999 1080.6824487 1081.1134492 1082.3371109 1083.3029137
1086.6652802 1088.7585100 1091.0903476 1091.8571635 1094.7628622
1095.8524487 1097.8640410 1098.9307673 1102.0570048 1103.4957759
1106.2545450 1106.8833664 1108.5863933 1109.1953730 1110.0844574
1111.6679244 1114.1585043 1117.1212061 1118.9508360 1120.0210938
1121.7903513 1123.1333012 1126.4623248 1128.8692097 1129.2575957
1130.8871969 1132.1311916 1134.0598063 1136.7729462 1137.6524595
1140.4552302 1142.8663505 1144.1962440 1145.8526691 1147.8269933
1150.4702742 1154.2472825 1155.9204933 1157.8151743 1161.0233042
1162.0442329 1165.0553631 1166.2266367 1170.4869994 1172.9455243
1173.9686947 1175.3523865 1178.6165271 1180.5482150 1180.7824732
1184.4505164 1188.1099363 1188.4997271 1190.2375694 1195.6050641
1199.5402684 1200.4232419 1202.9355763 1207.9488987 1209.5428334
1210.3649542 1215.1940616 1217.7716591 1218.9338388 1222.1594516
1225.9987100 1227.8398791 1234.9383895 1240.1177947 1241.3662682
1243.6466271 1246.6049862 1247.0134735 1252.0397852 1256.0367303
1259.0402315 1264.0753710 1269.2144240 1272.5434218 1279.1385941
1283.3550263 1285.7194128 1290.3661793 1294.8005130 1297.2679133
1301.5487388 1303.5348227 1308.1817438 1314.2530577 1314.7230254
1321.7371106 1322.1023171 1326.9911679 1328.9567313 1338.8003997
1346.9320595 1348.3725711 1360.1652454 1362.4770773 1378.5440645
1385.1833908 1393.4763307 1405.1862434 1411.7468954 1473.6455764
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404250724522542894.eigenfacs
Openam> file on opening on unit 10:
2404250724522542894.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404250724522542894.atom
Openam> file on opening on unit 11:
2404250724522542894.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 = 189
First residue number = 1
Last residue number = 290
Number of atoms found = 200
Mean number per residue = 1.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8611E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9108E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9829E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0038E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0069E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0111E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7331
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8723
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8959
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.061
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.398
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.579
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.663
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.861
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.170
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.349
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.804
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.025
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.310
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.571
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.931
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.141
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.181
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.682
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.862
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.996
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.436
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.483
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.858
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 6.233
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.369
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.678
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.961
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.050
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.378
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.503
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.675
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.004
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.333
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.553
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.705
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.910
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.164
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.296
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.747
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 10.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 17.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 18.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 19.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 19.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 20.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 20.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 20.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 21.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 21.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 22.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 22.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 22.62
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 600 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.345600
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= 0.634 for 199 C-alpha atoms.
Bfactors> = 1.621 +/- 3.04
Bfactors> = 21.485 +/- 10.57
Bfactors> Shiftng-fct= 19.864
Bfactors> Scaling-fct= 3.483
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404250724522542894 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=0
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=100
2404250724522542894.eigenfacs
2404250724522542894.atom
making animated gifs
11 models are in 2404250724522542894.7.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 2404250724522542894.7.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 2404250724522542894.7.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 2404250724522542894 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=0
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=100
2404250724522542894.eigenfacs
2404250724522542894.atom
making animated gifs
11 models are in 2404250724522542894.8.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 2404250724522542894.8.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 2404250724522542894.8.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 2404250724522542894 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=0
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=100
2404250724522542894.eigenfacs
2404250724522542894.atom
making animated gifs
11 models are in 2404250724522542894.9.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 2404250724522542894.9.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 2404250724522542894.9.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 2404250724522542894 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=0
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=100
2404250724522542894.eigenfacs
2404250724522542894.atom
making animated gifs
11 models are in 2404250724522542894.10.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 2404250724522542894.10.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 2404250724522542894.10.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 2404250724522542894 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=0
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=100
2404250724522542894.eigenfacs
2404250724522542894.atom
making animated gifs
11 models are in 2404250724522542894.11.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 2404250724522542894.11.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 2404250724522542894.11.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 2404250724522542894 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=0
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=100
2404250724522542894.eigenfacs
2404250724522542894.atom
making animated gifs
11 models are in 2404250724522542894.12.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 2404250724522542894.12.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 2404250724522542894.12.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 2404250724522542894 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=0
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=100
2404250724522542894.eigenfacs
2404250724522542894.atom
making animated gifs
11 models are in 2404250724522542894.13.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 2404250724522542894.13.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 2404250724522542894.13.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 2404250724522542894 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=0
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=100
2404250724522542894.eigenfacs
2404250724522542894.atom
making animated gifs
11 models are in 2404250724522542894.14.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 2404250724522542894.14.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 2404250724522542894.14.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 2404250724522542894 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=0
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=100
2404250724522542894.eigenfacs
2404250724522542894.atom
making animated gifs
11 models are in 2404250724522542894.15.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 2404250724522542894.15.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 2404250724522542894.15.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 2404250724522542894 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=-20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=0
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=20
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=40
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=60
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=80
2404250724522542894.eigenfacs
2404250724522542894.atom
calculating perturbed structure for DQ=100
2404250724522542894.eigenfacs
2404250724522542894.atom
making animated gifs
11 models are in 2404250724522542894.16.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 2404250724522542894.16.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 2404250724522542894.16.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
2404250724522542894.10.pdb
2404250724522542894.11.pdb
2404250724522542894.12.pdb
2404250724522542894.13.pdb
2404250724522542894.14.pdb
2404250724522542894.15.pdb
2404250724522542894.16.pdb
2404250724522542894.7.pdb
2404250724522542894.8.pdb
2404250724522542894.9.pdb
STDERR:
real 0m3.192s
user 0m3.188s
sys 0m0.004s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404250724522542894.Chkmod.res: No such file or directory
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
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
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
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
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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
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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
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
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
pstopnm: Writing ppmraw format
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
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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