*** ***
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 = 240414152901129602.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 240414152901129602.atom to be opened.
Openam> File opened: 240414152901129602.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 = 194
First residue number = 96
Last residue number = 289
Number of atoms found = 197
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.421949 +/- 9.201082 From: -18.707000 To: 21.574000
= -0.306173 +/- 7.582702 From: -19.718000 To: 15.803000
= 32.021934 +/- 10.740256 From: 12.786000 To: 54.094000
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 9.5195 % Filled.
Pdbmat> 16653 non-zero elements.
Pdbmat> 1719 atom-atom interactions.
Pdbmat> Number per atom= 17.45 +/- 5.48
Maximum number = 30
Minimum number = 6
Pdbmat> Matrix trace = 34380.0
Pdbmat> Larger element = 122.324
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 197 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) = 591
Diagstd> Number of non-zero elements 16653
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 34380.0000006
%Diagstd-Wn: Nb on non-zero elements there: 591
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 591 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 34380.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5090654 0.5962857 0.8581179 0.9147217
1.0691117 1.4698272 1.5494957 1.8573231 1.9703823
2.2042383 2.4024633 2.5241024 2.6114247 2.7888292
2.9420717 3.2770434 3.4687042 3.8485172 3.9704632
3.9946407 4.3386567 4.4909148 4.6857202 4.8858573
5.1681613 5.3217818 5.4287099 5.6992186 5.9571034
6.0319471 6.5077326 6.6651862 6.8402407 7.1307287
7.1621017 7.5282233 7.7245474 7.7878867 8.0706683
8.4288398 8.6646216 8.8766531 9.2912357 9.3680213
9.5266782 9.6584955 9.8448433 9.9741691 10.2747534
10.3977883 10.7860015 10.9585501 11.0091741 11.1728487
11.3800410 11.4789963 11.7030283 11.8217583 12.3072582
12.7139480 13.0268068 13.2758290 13.3267757 13.7201284
13.9245059 14.0928515 14.3252074 14.6124079 14.6217364
14.7369382 15.1685413 15.5318287 15.5813384 15.9122165
15.9391348 16.2284963 16.4457079 16.5416477 16.9365457
17.1149221 17.5029501 17.5957742 17.7570980 17.9978605
18.2189128 18.4257603 18.6353848 18.7172299 18.8525889
18.9752100 19.4707891 19.6503656 19.7887148 19.8456674
20.2509631 20.3578019 20.4147196 20.6673598 20.8579040
21.0741672 21.3754454 21.7036741 21.8409271 22.0093681
22.4593426 22.5204050 22.7614192 22.9055084 23.0262924
23.1784465 23.5349741 23.5947268 23.7369608 23.8272742
24.2792484 24.3182583 24.5723156 24.6462443 24.8632646
25.0286304 25.1873187 25.5172574 25.7265544 25.8191806
25.9459926 26.2866389 26.3701305 26.5765649 26.8430294
27.0019269 27.2871280 27.4136979 27.4724870 27.6857025
27.8650221 27.9943117 28.1732053 28.4146495 28.7963186
28.8630878 29.0763121 29.1930049 29.3897300 29.4943361
29.6498888 29.9424613 30.0025184 30.3302533 30.4430123
30.4927622 30.6763462 30.7847493 30.9944162 31.1020239
31.2134257 31.3462118 31.5798232 31.6653503 31.8501687
32.1392997 32.3483320 32.3807656 32.6470671 33.0103999
33.1045563 33.2250005 33.2988186 33.4096603 33.6572217
33.8835849 34.2217584 34.2320526 34.2382250 34.4289410
34.5899036 34.6281443 34.9016902 35.1243282 35.2334314
35.3069742 35.7822976 35.8795550 36.0568719 36.1287536
36.3563264 36.4491999 36.7069786 36.8897781 36.9474005
37.1550633 37.4273706 37.6271031 37.6731795 37.7689916
38.0021609 38.0511647 38.2302714 38.5453051 38.7855011
38.8326177 39.0120729 39.0642189 39.4591099 39.5905244
39.7399353 39.8031212 39.9295876 40.0680006 40.2420686
40.2904575 40.4553811 40.7461239 40.8092881 40.9456562
41.0723540 41.3303593 41.3971364 41.5320902 41.7003163
41.9664814 42.1398344 42.2697412 42.5174707 42.6420038
42.7580667 42.8458830 42.9980615 43.2091113 43.3090725
43.5084306 43.5822874 43.7067276 43.8110980 44.0605749
44.1109017 44.2594548 44.3177974 44.5305126 44.8972404
44.9332488 45.1281731 45.2449850 45.2618089 45.5301297
45.6434515 45.9223037 46.0030029 46.2870153 46.4105342
46.5254874 46.6237606 46.7380838 46.8865651 47.1069075
47.2763981 47.3450792 47.4244129 47.4683996 47.6368911
47.9139462 48.1597576 48.2884589 48.6197788 48.7726270
48.8584318 49.0251576 49.1497599 49.4157897 49.5901070
49.7481880 49.8979025 50.0035410 50.0769697 50.2707512
50.3898443 50.6271369 50.9183706 50.9407285 51.0017327
51.2999028 51.5557081 51.7132091 51.7673635 52.1116073
52.2360853 52.2546040 52.3894338 52.5661997 52.8174784
52.9446131 52.9925713 53.2456530 53.4497629 53.6108039
53.7603003 53.9038977 54.0905002 54.3631184 54.6650070
54.8196517 54.9535632 55.1254644 55.4176474 55.5718277
55.9075841 56.0012730 56.3202029 56.5509434 56.7399426
56.8483556 57.0904335 57.4778159 57.8165734 58.0358684
58.1463327 58.3173647 58.3969995 58.7587329 58.9490790
59.0481212 59.1684076 59.3990974 59.5543457 59.6929225
59.7281962 59.9428761 60.1921140 60.4186737 60.5322977
60.7148439 60.9971077 61.1995018 61.2976920 61.6048449
61.6676176 61.9154554 62.0776737 62.1806756 62.3909231
62.5829125 62.6764386 62.9561724 63.0813107 63.5389969
63.8122859 63.9681946 64.2988786 64.3825194 64.6645535
64.8902768 65.0842885 65.3914338 65.5815510 65.8024264
65.8136194 66.1676716 66.1773059 66.2941878 66.4593666
66.6430532 66.7898158 67.0005664 67.2081643 67.4609166
67.6476813 67.8966189 68.1453994 68.4386822 68.4626332
68.8056363 68.8737561 69.3883024 69.5239611 69.6216624
69.8460847 70.0217701 70.1009454 70.2851160 70.7285526
70.8748909 71.1341038 71.4100617 71.5910640 71.7040607
71.8669956 72.0488685 72.2558198 72.4735485 72.7861020
72.9880506 73.0863737 73.3571220 73.4542510 73.7477188
73.8022572 73.8558042 73.9754799 74.1346793 74.3439845
74.3508562 74.6298706 74.6891511 74.9621871 75.1323402
75.4299967 75.6914852 75.9382792 76.2315433 76.5799428
76.9693445 77.0866108 77.3684361 77.5901019 77.6372769
77.8937526 77.9706503 78.4144623 78.5984955 78.7195517
79.0226235 79.1176042 79.2611462 79.3858092 79.6050511
79.6463759 79.9630210 80.6709610 80.9314354 81.1577940
81.2866289 81.5394476 81.8574522 82.2090358 82.5936446
82.6888649 82.7048942 83.0455065 83.3959037 83.5457511
83.9931946 84.0582699 84.2767643 84.5458153 84.8339232
85.1650079 85.3800462 85.5054737 85.7875094 86.0676411
86.4398021 86.5832841 86.6349553 86.9205889 87.3956793
87.5564636 87.9588440 88.1532286 88.6963351 88.7728028
89.0280991 89.1212890 89.1738788 89.4202406 89.5117698
89.9478267 90.0906100 90.5856781 90.9624918 91.1826805
91.4325956 91.9194304 92.1893612 92.4947900 92.5371072
93.0601536 93.3071288 93.5189174 93.8958578 94.1219162
94.6114031 94.9363925 95.2764979 95.4947160 95.6124920
95.9743720 96.7810197 97.2699162 97.4517384 97.8943030
98.0351948 98.2407013 98.9319817 99.0506899 99.1489878
99.6714513 99.9761543 100.3867886 100.8713234 101.5060382
101.7351108 102.0741272 102.4969171 102.5132812 102.6630925
103.2715386 103.4712710 104.1827139 104.2043165 104.3766080
104.5875199 105.2665647 105.6564173 105.9802194 106.2530719
106.5229496 107.1420860 107.3857039 107.7787296 108.5416488
108.5954021 108.6277359 109.5550309 109.9337047 110.5810036
110.6251203 111.3153258 111.8275925 112.2260469 112.6405889
113.0259011 113.2709766 113.7357345 113.9681741 114.3844398
114.5943105 114.7510363 115.4372806 115.7718867 116.7816658
116.8627289 117.9193601 118.3111283 118.8339067 119.4163676
119.8777437 120.6299048 121.3585308 121.7822302 122.5481692
123.0649697 123.7659599 124.3365829 124.7223790 125.5635531
125.7376917 127.3753779 128.0720964 128.2093194 128.9702943
129.9519075 130.9590551 131.3828278 131.5796232 132.7226893
133.4542743 134.6695291 135.1730165 135.8498144 136.2943102
137.0155107 137.7872034 138.1240441 139.5127618 141.0407133
142.7409970 144.0934026 146.9388706 147.4941825 150.3537057
151.4990408 154.2637486 156.5230687 159.9609413 163.5637187
173.3045417
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034060 0.0034321 0.0034378 0.0034405 0.0034497
0.0034537 77.4786557 83.8537472 100.5932290 103.8579583
112.2811415 131.6522885 135.1731607 147.9922609 152.4300289
161.2220931 168.3153240 172.5237012 175.4825907 181.3452723
186.2609912 196.5786626 202.2455219 213.0306031 216.3793770
217.0371824 226.1897511 230.1244109 235.0625578 240.0300797
246.8671547 250.5092759 253.0134436 259.2405533 265.0408705
266.7006301 277.0193661 280.3505565 284.0082607 289.9761220
290.6133250 297.9487220 301.8087331 303.0435841 308.4963506
315.2674832 319.6465932 323.5339832 331.0030679 332.3680083
335.1706854 337.4815384 340.7216135 342.9522407 348.0815346
350.1593801 356.6362774 359.4775960 360.3069584 362.9754391
366.3255361 367.9147822 371.4876740 373.3673341 380.9569809
387.2001308 391.9351976 395.6636070 396.4220699 402.2299157
405.2146857 407.6568249 411.0037076 415.1032884 415.2357667
416.8683382 422.9287310 427.9633474 428.6448990 433.1722430
433.5384810 437.4560433 440.3738946 441.6565373 446.8972678
449.2444735 454.3085470 455.5116309 457.5950054 460.6867499
463.5072258 466.1310019 468.7750219 469.8033051 471.4990028
473.0298810 479.1671718 481.3717476 483.0633340 483.7579721
488.6727489 489.9601081 490.6445617 493.6711866 495.9416843
498.5061164 502.0568152 505.8967735 507.4938867 509.4470686
514.6284603 515.3275713 518.0777591 519.7149959 521.0834593
522.8022439 526.8077350 527.4760638 529.0635439 530.0690672
535.0728310 535.5025133 538.2924926 539.1016423 541.4699455
543.2676225 544.9871336 548.5450209 550.7900576 551.7807023
553.1340904 556.7533124 557.6367912 559.8152221 562.6146588
564.2774034 567.2495946 568.5636514 569.1729721 571.3773947
573.2248066 574.5531061 576.3859828 578.8505253 582.7251535
583.4003367 585.5512890 586.7251171 588.6987023 589.7454415
591.2985508 594.2087305 594.8043500 598.0442222 599.1548676
599.6442360 601.4466293 602.5083792 604.5566606 605.6052140
606.6888289 607.9779265 610.2392353 611.0650268 612.8457077
615.6210835 617.6198222 617.9293685 620.4651112 623.9081709
624.7973315 625.9328988 626.6278506 627.6699109 629.9910973
632.1060634 635.2525844 635.3481220 635.4053992 637.1726307
638.6603519 639.0132888 641.5322744 643.5751896 644.5739520
645.2463114 649.5751349 650.4573179 652.0626184 652.7122596
654.7647296 655.6005055 657.9147147 659.5508759 660.0657894
661.9181396 664.3392916 666.1095680 666.5172870 667.3643063
669.4211450 669.8526155 671.4272616 674.1880096 676.2853565
676.6960067 678.2577953 678.7109448 682.1327837 683.2677259
684.5558057 685.0998062 686.1873264 687.3756068 688.8670763
689.2811147 690.6904144 693.1678815 693.7049442 694.8630180
695.9372420 698.1196637 698.6834086 699.8213285 701.2372131
703.4715841 704.9230187 706.0087358 708.0745594 709.1107714
710.0751440 710.8039444 712.0651295 713.8105248 714.6357229
716.2786216 716.8863155 717.9090467 718.7657079 720.8092643
721.2208081 722.4342217 722.9102190 724.6430440 727.6207977
727.9125219 729.4896871 730.4331999 730.5689891 732.7312668
733.6425626 735.8801931 736.5264898 738.7965677 739.7816662
740.6972732 741.4791274 742.3876384 743.5659414 745.3110797
746.6506903 747.1928441 747.8185982 748.1653234 749.4919724
751.6683271 753.5939902 754.6002643 757.1845950 758.3738591
759.0406622 760.3346445 761.3002643 763.3578048 764.7030155
765.9208877 767.0725215 767.8840739 768.4476747 769.9330596
770.8445184 772.6573925 774.8765699 775.0466724 775.5106134
777.7742334 779.7109946 780.9010825 781.3098574 783.9033392
784.8390286 784.9781363 785.9902028 787.3150809 789.1946125
790.1438601 790.5016424 792.3870312 793.9043320 795.0994263
796.2072418 797.2698943 798.6486814 800.6587623 802.8787881
804.0136392 804.9950486 806.2531245 808.3870038 809.5107500
811.9525372 812.6325796 814.9432848 816.6109653 817.9744276
818.7555060 820.4969114 823.2759119 825.6984224 827.2628537
828.0497775 829.2666985 829.8327046 832.3988876 833.7460554
834.4461629 835.2956526 836.9224221 838.0154184 838.9898394
839.2376902 840.7445657 842.4906281 844.0746821 844.8679975
846.1409652 848.1055431 849.5114245 850.1926408 852.3200688
852.7541973 854.4660586 855.5846751 856.2941920 857.7406370
859.0593434 859.7010077 861.6173554 862.4732511 865.5964318
867.4559521 868.5150069 870.7570105 871.3231723 873.2295462
874.7523011 876.0590108 878.1237232 879.3993127 880.8789550
880.9538703 883.3202903 883.3845955 884.1643655 885.2651735
886.4877181 887.4633018 888.8623633 890.2383459 891.9107514
893.1445199 894.7863581 896.4241559 898.3510908 898.5082718
900.7562580 901.2020362 904.5621500 905.4459577 906.0819416
907.5411235 908.6817856 909.1953748 910.3889195 913.2562764
914.2005576 915.8707990 917.6455957 918.8078328 919.5326527
920.5767986 921.7409082 923.0637517 924.4534408 926.4447216
927.7290639 928.3537312 930.0716842 930.6872144 932.5445232
932.8892800 933.2276464 933.9834395 934.9878919 936.3068423
936.3501134 938.1053753 938.4778824 940.1916823 941.2581256
943.1208033 944.7541185 946.2930620 948.1185339 950.2826477
952.6956325 953.4210941 955.1623367 956.5296604 956.8204029
958.3995337 958.8724887 961.5975866 962.7253263 963.4664280
965.3193290 965.8992838 966.7750959 967.5350756 968.8701880
969.1216366 971.0461640 975.3351938 976.9085301 978.2737427
979.0499208 980.5712660 982.4815236 984.5891769 986.8896526
987.4583703 987.5540753 989.5855596 991.6710611 992.5615882
995.2159551 995.6014118 996.8945155 998.4845256 1000.1843532
1002.1341818 1003.3985587 1004.1353098 1005.7899922 1007.4308138
1009.6065563 1010.4441352 1010.7455968 1012.4104294 1015.1734745
1016.1068669 1018.4390349 1019.5637634 1022.6996750 1023.1404295
1024.6105671 1025.1466810 1025.4491017 1026.8646356 1027.3900427
1029.8894691 1030.7065694 1033.5346712 1035.6820629 1036.9348191
1038.3548714 1041.1155725 1042.6431228 1044.3688642 1044.6077407
1047.5557929 1048.9449422 1050.1347155 1052.2489407 1053.5148470
1056.2507295 1058.0632807 1059.9568184 1061.1699693 1061.8241513
1063.8316817 1068.2929863 1070.9878676 1071.9883746 1074.4197666
1075.1926538 1076.3190014 1080.0991756 1080.7469852 1081.2831187
1084.1282746 1085.7841403 1088.0116881 1090.6342692 1094.0601991
1095.2940072 1097.1174376 1099.3872139 1099.4749716 1100.2780558
1103.5337093 1104.6003388 1108.3913133 1108.5062216 1109.4222457
1110.5425744 1114.1418955 1116.2030898 1117.9121787 1119.3503197
1120.7709664 1124.0233395 1125.3005066 1127.3578944 1131.3408991
1131.6210025 1131.7894574 1136.6099223 1138.5725578 1141.9196438
1142.1474073 1145.7048753 1148.3380833 1150.3820935 1152.5047829
1154.4742998 1155.7252525 1158.0938321 1159.2766153 1161.3917993
1162.4567620 1163.2514122 1166.7245169 1168.4142249 1173.4987008
1173.9059180 1179.2009954 1181.1582243 1183.7649253 1186.6624734
1188.9526534 1192.6768039 1196.2733709 1198.3598276 1202.1224119
1204.6544933 1208.0805367 1210.8622622 1212.7393609 1216.8220711
1217.6655574 1225.5697216 1228.9169645 1229.5751506 1233.2187688
1237.9029833 1242.6906959 1244.6996942 1245.6315491 1251.0304106
1254.4735945 1260.1723637 1262.5258618 1265.6825861 1267.7515299
1271.1012540 1274.6757480 1276.2328615 1282.6325242 1289.6371290
1297.3873027 1303.5188889 1316.3265137 1318.8115008 1331.5342702
1336.5961991 1348.7368409 1358.5776232 1373.4164849 1388.7969953
1429.5529708
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240414152901129602.eigenfacs
Openam> file on opening on unit 10:
240414152901129602.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240414152901129602.atom
Openam> file on opening on unit 11:
240414152901129602.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 = 194
First residue number = 96
Last residue number = 289
Number of atoms found = 197
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: 9.8377E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9894E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0022E-09
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: 1.0092E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0115E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5091
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5963
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8581
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9147
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.069
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.470
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.549
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.857
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.970
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.204
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.402
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.524
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.611
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.789
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.942
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.469
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.849
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.970
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.339
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.491
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.686
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.886
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.168
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.322
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.429
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.699
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.508
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.665
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.840
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.131
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.162
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.528
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.725
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.788
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.071
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.429
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.665
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.877
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.291
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.527
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.658
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.845
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 9.974
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 10.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 11.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 11.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 13.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 15.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 18.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 18.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 19.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 20.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.07
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 591 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 : 0.509100
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= 0.632 for 197 C-alpha atoms.
Bfactors> = 1.617 +/- 2.54
Bfactors> = 41.213 +/- 12.23
Bfactors> Shiftng-fct= 39.596
Bfactors> Scaling-fct= 4.804
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240414152901129602 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=0
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=100
240414152901129602.eigenfacs
240414152901129602.atom
making animated gifs
11 models are in 240414152901129602.7.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 240414152901129602.7.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 240414152901129602.7.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 240414152901129602 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=0
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=100
240414152901129602.eigenfacs
240414152901129602.atom
making animated gifs
11 models are in 240414152901129602.8.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 240414152901129602.8.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 240414152901129602.8.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 240414152901129602 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=0
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=100
240414152901129602.eigenfacs
240414152901129602.atom
making animated gifs
11 models are in 240414152901129602.9.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 240414152901129602.9.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 240414152901129602.9.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 240414152901129602 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=0
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=100
240414152901129602.eigenfacs
240414152901129602.atom
making animated gifs
11 models are in 240414152901129602.10.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 240414152901129602.10.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 240414152901129602.10.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 240414152901129602 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=0
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=100
240414152901129602.eigenfacs
240414152901129602.atom
making animated gifs
11 models are in 240414152901129602.11.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 240414152901129602.11.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 240414152901129602.11.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 240414152901129602 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=0
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=100
240414152901129602.eigenfacs
240414152901129602.atom
making animated gifs
11 models are in 240414152901129602.12.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 240414152901129602.12.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 240414152901129602.12.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 240414152901129602 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=0
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=100
240414152901129602.eigenfacs
240414152901129602.atom
making animated gifs
11 models are in 240414152901129602.13.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 240414152901129602.13.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 240414152901129602.13.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 240414152901129602 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=0
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=100
240414152901129602.eigenfacs
240414152901129602.atom
making animated gifs
11 models are in 240414152901129602.14.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 240414152901129602.14.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 240414152901129602.14.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 240414152901129602 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=0
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=100
240414152901129602.eigenfacs
240414152901129602.atom
making animated gifs
11 models are in 240414152901129602.15.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 240414152901129602.15.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 240414152901129602.15.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 240414152901129602 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=-20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=0
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=20
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=40
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=60
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=80
240414152901129602.eigenfacs
240414152901129602.atom
calculating perturbed structure for DQ=100
240414152901129602.eigenfacs
240414152901129602.atom
making animated gifs
11 models are in 240414152901129602.16.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 240414152901129602.16.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 240414152901129602.16.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
240414152901129602.10.pdb
240414152901129602.11.pdb
240414152901129602.12.pdb
240414152901129602.13.pdb
240414152901129602.14.pdb
240414152901129602.15.pdb
240414152901129602.16.pdb
240414152901129602.7.pdb
240414152901129602.8.pdb
240414152901129602.9.pdb
STDERR:
real 0m3.097s
user 0m3.093s
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: 240414152901129602.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
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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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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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
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
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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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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
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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