*** ***
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 = 2404110333413555790.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 2404110333413555790.atom to be opened.
Openam> File opened: 2404110333413555790.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:
= 2.421934 +/- 9.201081 From: -18.707000 To: 21.574000
= -0.306279 +/- 7.582700 From: -19.718000 To: 15.803000
= 32.021919 +/- 10.740275 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 0.5090649 0.5962801 0.8581042 0.9147219
1.0690900 1.4698273 1.5494572 1.8571340 1.9702623
2.2040879 2.4022658 2.5241045 2.6114203 2.7888260
2.9420883 3.2769978 3.4687188 3.8484743 3.9704322
3.9946281 4.3386195 4.4908787 4.6856968 4.8858186
5.1681311 5.3213953 5.4284552 5.6991917 5.9570703
6.0321231 6.5075922 6.6649819 6.8403296 7.1305467
7.1620522 7.5282349 7.7243500 7.7878764 8.0706925
8.4286043 8.6645869 8.8766074 9.2915495 9.3679859
9.5266243 9.6573429 9.8447239 9.9739996 10.2746118
10.3974402 10.7859863 10.9585528 11.0090122 11.1728149
11.3798934 11.4784526 11.7027791 11.8217860 12.3068499
12.7139405 13.0268565 13.2757079 13.3268155 13.7203015
13.9245447 14.0927936 14.3251046 14.6124482 14.6216757
14.7366166 15.1686786 15.5315268 15.5808653 15.9121727
15.9389941 16.2281459 16.4455770 16.5415047 16.9362091
17.1147085 17.5029147 17.5958371 17.7559601 17.9973487
18.2185496 18.4257699 18.6348795 18.7174467 18.8525403
18.9752046 19.4703291 19.6503019 19.7887276 19.8451860
20.2507191 20.3579734 20.4149762 20.6675986 20.8576446
21.0745931 21.3752218 21.7034013 21.8401560 22.0087059
22.4592320 22.5204638 22.7614670 22.9055574 23.0248626
23.1783911 23.5348405 23.5948734 23.7367908 23.8271900
24.2792322 24.3173939 24.5722893 24.6459642 24.8631098
25.0290934 25.1866332 25.5171733 25.7265680 25.8187145
25.9453629 26.2869000 26.3699237 26.5767217 26.8428338
27.0019647 27.2846434 27.4137820 27.4721136 27.6851053
27.8650186 27.9943034 28.1722646 28.4144729 28.7964685
28.8602839 29.0761099 29.1925520 29.3866203 29.4939070
29.6485188 29.9424044 30.0025715 30.3301137 30.4424061
30.4912555 30.6754266 30.7846916 30.9941712 31.1017411
31.2086301 31.3463641 31.5777625 31.6641615 31.8499134
32.1392446 32.3478511 32.3802162 32.6468313 33.0099280
33.1043396 33.2246633 33.2982216 33.4097517 33.6565754
33.8837343 34.2217547 34.2320315 34.2381200 34.4281969
34.5891240 34.6268977 34.9017100 35.1237811 35.2333075
35.3069484 35.7816068 35.8789285 36.0567345 36.1283772
36.3559326 36.4492504 36.7063214 36.8897240 36.9467166
37.1548584 37.4270099 37.6267800 37.6717258 37.7691887
38.0015863 38.0509402 38.2304036 38.5449178 38.7858073
38.8323390 39.0117992 39.0642285 39.4592676 39.5903232
39.7390346 39.8032233 39.9293407 40.0679773 40.2418995
40.2902913 40.4551586 40.7452993 40.8087931 40.9454720
41.0717779 41.3302507 41.3967148 41.5318847 41.6994607
41.9660169 42.1389413 42.2706054 42.5166681 42.6418049
42.7583443 42.8458909 42.9977571 43.2094985 43.3092677
43.5086608 43.5824735 43.7072867 43.8105862 44.0603295
44.1109321 44.2589137 44.3174243 44.5288630 44.8972500
44.9329281 45.1276352 45.2447932 45.2626660 45.5296946
45.6432000 45.9249594 46.0025501 46.2866606 46.4124578
46.5254927 46.6239154 46.7381314 46.8877153 47.1066100
47.2762265 47.3455540 47.4244127 47.4677307 47.6368410
47.9146638 48.1597643 48.2881365 48.6198424 48.7722539
48.8589788 49.0255053 49.1491201 49.4164636 49.5895904
49.7465922 49.8971137 50.0031593 50.0766794 50.2702389
50.3891650 50.6242759 50.9176001 50.9402602 51.0017009
51.2995760 51.5546186 51.7133857 51.7668341 52.1109680
52.2359418 52.2540911 52.3888916 52.5656017 52.8164797
52.9445514 52.9924466 53.2453666 53.4493862 53.6105046
53.7590692 53.9031050 54.0899086 54.3609870 54.6645068
54.8193150 54.9531351 55.1255015 55.4172078 55.5715408
55.9075015 56.0012549 56.3203126 56.5502864 56.7362374
56.8483474 57.0902252 57.4779040 57.8169254 58.0357827
58.1461307 58.3179995 58.3977519 58.7587693 58.9490641
59.0485405 59.1685168 59.3994475 59.5544048 59.6908706
59.7281961 59.9431745 60.1921088 60.4189001 60.5324040
60.7149861 60.9973338 61.1988820 61.2980759 61.6054022
61.6671004 61.9167932 62.0772833 62.1816173 62.3904825
62.5826278 62.6766421 62.9563378 63.0805684 63.5379537
63.8117905 63.9680140 64.2986755 64.3821375 64.6649600
64.8907499 65.0844482 65.3916316 65.5811950 65.8024203
65.8139561 66.1676823 66.1775320 66.2937740 66.4598463
66.6432718 66.7897946 67.0005664 67.2079011 67.4607368
67.6477019 67.8966338 68.1467217 68.4390292 68.4628697
68.8052354 68.8746545 69.3888100 69.5242725 69.6216620
69.8460999 70.0223357 70.1020116 70.2850771 70.7281416
70.8749834 71.1347201 71.4105834 71.5908870 71.7038085
71.8672163 72.0493251 72.2557463 72.4732321 72.7861876
72.9885783 73.0876950 73.3576691 73.4545649 73.7477177
73.8022597 73.8558236 73.9759268 74.1345555 74.3443580
74.3517923 74.6303588 74.6895836 74.9622304 75.1309419
75.4306597 75.6917125 75.9386082 76.2340380 76.5815867
76.9686788 77.0851223 77.3677282 77.5903679 77.6379827
77.8942291 77.9705019 78.4142523 78.5978392 78.7196172
79.0228390 79.1182923 79.2610408 79.3869967 79.6053354
79.6466118 79.9625823 80.6713230 80.9326746 81.1582546
81.2864358 81.5392888 81.8579307 82.2083374 82.5941810
82.6882231 82.7048398 83.0459590 83.3960866 83.5458293
83.9928555 84.0583698 84.2771256 84.5455698 84.8348152
85.1654163 85.3793298 85.5059872 85.7876421 86.0676417
86.4414787 86.5833721 86.6352618 86.9202587 87.3960250
87.5549065 87.9582889 88.1533188 88.6966697 88.7728110
89.0286470 89.1202870 89.1740337 89.4216161 89.5116913
89.9466730 90.0914526 90.5858867 90.9620286 91.1823694
91.4340451 91.9179101 92.1892075 92.4959308 92.5368406
93.0612821 93.3085268 93.5185552 93.8966876 94.1214666
94.6094941 94.9364474 95.2766684 95.4961453 95.6119835
95.9749433 96.7803482 97.2664980 97.4529756 97.8951715
98.0354394 98.2413862 98.9334197 99.0512758 99.1498422
99.6700252 99.9774876 100.3893449 100.8740756 101.5065377
101.7398507 102.0764294 102.4974561 102.5134049 102.6645029
103.2731197 103.4716870 104.1834823 104.2043187 104.3772541
104.5927817 105.2707503 105.6573673 105.9808695 106.2540955
106.5234035 107.1451534 107.3857131 107.7796989 108.5424433
108.5953593 108.6300847 109.5539104 109.9337619 110.5857325
110.6250709 111.3158125 111.8264671 112.2231827 112.6444781
113.0255005 113.2723699 113.7357412 113.9666562 114.3844383
114.5873016 114.7500965 115.4362204 115.7711933 116.7811582
116.8624520 117.9182087 118.3100759 118.8344881 119.4140052
119.8764171 120.6294760 121.3588062 121.7774497 122.5504482
123.0645304 123.7680843 124.3395564 124.7217602 125.5509012
125.7376217 127.3754974 128.0708858 128.2066728 128.9740210
129.9577547 130.9634983 131.3828239 131.5779292 132.7265681
133.4544568 134.6703703 135.1760652 135.8509292 136.2971335
137.0170205 137.7885503 138.1245397 139.5109936 141.0404944
142.7566928 144.0931922 146.9387883 147.4971351 150.3566361
151.5000415 154.2649585 156.5246114 159.9608371 163.5653224
173.3039579
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034215 0.0034298 0.0034353 0.0034390 0.0034490
0.0034554 77.4786166 83.8533530 100.5924289 103.8579681
112.2800039 131.6522974 135.1714803 147.9847274 152.4253866
161.2165914 168.3084085 172.5237731 175.4824418 181.3451699
186.2615152 196.5772956 202.2459475 213.0294166 216.3785337
217.0368400 226.1887818 230.1234841 235.0619707 240.0291290
246.8664325 250.5001799 253.0075092 259.2399414 265.0401345
266.7045214 277.0163778 280.3462613 284.0101063 289.9724201
290.6123195 297.9489512 301.8048768 303.0433824 308.4968118
315.2630794 319.6459535 323.5331501 331.0086578 332.3673813
335.1697375 337.4614013 340.7195479 342.9493263 348.0791346
350.1535194 356.6360265 359.4776403 360.3043103 362.9748893
366.3231606 367.9060697 371.4837191 373.3677712 380.9506611
387.2000163 391.9359444 395.6618025 396.4226613 402.2324528
405.2152507 407.6559877 411.0022327 415.1038612 415.2349053
416.8637899 422.9306457 427.9591883 428.6383915 433.1716469
433.5365673 437.4513214 440.3721430 441.6546284 446.8928268
449.2416705 454.3080879 455.5124442 457.5803438 460.6801989
463.5026052 466.1311239 468.7686658 469.8060252 471.4983950
473.0298136 479.1615121 481.3709675 483.0634912 483.7521042
488.6698048 489.9621725 490.6476452 493.6740388 495.9385997
498.5111529 502.0541894 505.8935942 507.4849275 509.4394047
514.6271931 515.3282434 518.0783037 519.7155512 521.0672809
522.8016183 526.8062388 527.4777030 529.0616492 530.0681310
535.0726522 535.4929958 538.2922039 539.0985787 541.4682599
543.2726469 544.9797165 548.5441177 550.7902039 551.7757217
553.1273781 556.7560782 557.6346053 559.8168741 562.6126093
564.2777974 567.2237693 568.5645234 569.1691037 571.3712320
573.2247704 574.5530216 576.3763596 578.8487269 582.7266708
583.3719991 585.5492530 586.7205658 588.6675562 589.7411517
591.2848905 594.2081667 594.8048757 598.0428457 599.1489022
599.6294217 601.4376143 602.5078144 604.5542718 605.6024605
606.6422211 607.9794035 610.2193255 611.0535562 612.8432514
615.6205555 617.6152315 617.9241261 620.4628710 623.9037107
624.7952868 625.9297226 626.6222329 627.6707701 629.9850485
632.1074572 635.2525501 635.3479261 635.4044251 637.1657444
638.6531552 639.0017867 641.5324563 643.5701773 644.5728182
645.2460751 649.5688640 650.4516392 652.0613764 652.7088594
654.7611840 655.6009602 657.9088252 659.5503928 660.0596804
661.9163144 664.3360907 666.1067083 666.5044267 667.3660477
669.4160841 669.8506397 671.4284230 674.1846218 676.2880259
676.6935788 678.2554162 678.7110280 682.1341471 683.2659901
684.5480485 685.1006852 686.1852054 687.3754073 688.8656295
689.2796930 690.6885147 693.1608672 693.7007371 694.8614543
695.9323606 698.1187466 698.6798506 699.8195971 701.2300192
703.4676909 704.9155487 706.0159529 708.0678764 709.1091177
710.0774489 710.8040095 712.0626088 713.8137237 714.6373332
716.2805166 716.8878464 717.9136384 718.7615097 720.8072575
721.2210566 722.4298054 722.9071763 724.6296216 727.6208761
727.9099246 729.4853393 730.4316512 730.5759064 732.7277656
733.6405411 735.9014709 736.5228651 738.7937366 739.7969969
740.6973154 741.4803585 742.3880163 743.5750616 745.3087262
746.6493352 747.1965908 747.8185965 748.1600521 749.4915785
751.6739558 753.5940427 754.5977456 757.1850899 758.3709579
759.0449113 760.3373405 761.2953093 763.3630099 764.6990329
765.9086033 767.0664580 767.8811433 768.4454472 769.9291359
770.8393227 772.6355605 774.8707066 775.0431103 775.5103714
777.7717558 779.7027559 780.9024160 781.3058628 783.8985311
784.8379505 784.9742840 785.9861355 787.3106030 789.1871518
790.1433997 790.5007122 792.3849003 793.9015346 795.0972066
796.1981254 797.2640320 798.6443139 800.6430665 802.8751154
804.0111706 804.9919128 806.2533961 808.3837973 809.5086603
811.9519370 812.6324488 814.9440787 816.6062219 817.9477193
818.7554471 820.4954147 823.2765429 825.7009360 827.2622431
828.0483390 829.2712123 829.8380505 832.3991459 833.7459504
834.4491263 835.2964232 836.9248881 838.0158341 838.9754197
839.2376894 840.7466578 842.4905914 844.0762637 844.8687394
846.1419565 848.1071145 849.5071225 850.1953032 852.3239238
852.7506213 854.4752896 855.5819850 856.3006761 857.7376083
859.0573889 859.7024030 861.6184874 862.4681761 865.5893259
867.4525854 868.5137813 870.7556352 871.3205881 873.2322910
874.7554899 876.0600859 878.1250515 879.3969262 880.8789139
880.9561238 883.3203615 883.3861042 884.1616059 885.2683679
886.4891721 887.4631607 888.8623632 890.2366024 891.9095631
893.1446557 894.7864561 896.4328528 898.3533684 898.5098236
900.7536338 901.2079140 904.5654588 905.4479853 906.0819385
907.5412225 908.6854556 909.2022888 910.3886677 913.2536229
914.2011542 915.8747662 917.6489476 918.8066970 919.5310359
920.5782122 921.7438292 923.0632819 924.4514228 926.4452663
927.7324178 928.3621234 930.0751521 930.6892027 932.5445162
932.8892962 933.2277686 933.9862606 934.9871112 936.3091944
936.3560079 938.1084442 938.4805996 940.1919541 941.2493669
943.1249482 944.7555369 946.2951122 948.1340478 950.2928474
952.6915126 953.4118888 955.1579674 956.5313002 956.8247519
958.4024649 958.8715764 961.5962989 962.7213069 963.4668291
965.3206451 965.9034845 966.7744533 967.5423119 968.8719183
969.1230717 971.0435001 975.3373820 976.9160095 978.2765191
979.0487581 980.5703112 982.4843954 984.5849948 986.8928575
987.4545381 987.5537501 989.5882560 991.6721485 992.5620529
995.2139467 995.6020037 996.8966526 998.4830759 1000.1896113
1002.1365845 1003.3943496 1004.1383249 1005.7907703 1007.4308175
1009.6163475 1010.4446485 1010.7473849 1012.4085064 1015.1754823
1016.0978318 1018.4358217 1019.5642853 1022.7016042 1023.1404768
1024.6137198 1025.1409176 1025.4499923 1026.8725330 1027.3895921
1029.8828646 1030.7113894 1033.5358613 1035.6794257 1036.9330501
1038.3631020 1041.1069625 1042.6422542 1044.3753044 1044.6062360
1047.5621443 1048.9528000 1050.1326817 1052.2535904 1053.5123310
1056.2400730 1058.0635865 1059.9577667 1061.1779103 1061.8213274
1063.8348480 1068.2892799 1070.9690498 1071.9951795 1074.4245326
1075.1939948 1076.3227531 1080.1070253 1080.7501817 1081.2877776
1084.1205189 1085.7913803 1088.0255407 1090.6491477 1094.0628909
1095.3195223 1097.1298100 1099.3901043 1099.4756348 1100.2856138
1103.5421571 1104.6025595 1108.3954006 1108.5062330 1109.4256795
1110.5705100 1114.1640453 1116.2081079 1117.9156074 1119.3557116
1120.7733541 1124.0394293 1125.3005547 1127.3629639 1131.3450394
1131.6207792 1131.8016935 1136.6041099 1138.5728542 1141.9440600
1142.1471522 1145.7073798 1148.3323049 1150.3674132 1152.5246795
1154.4722538 1155.7323605 1158.0938662 1159.2688952 1161.3917914
1162.4212123 1163.2466489 1166.7191591 1168.4107258 1173.4961506
1173.9045271 1179.1952386 1181.1529709 1183.7678211 1186.6507357
1188.9460747 1192.6746840 1196.2747281 1198.3363068 1202.1335894
1204.6523433 1208.0909047 1210.8767409 1212.7363525 1216.7607659
1217.6652185 1225.5702967 1228.9111564 1229.5624598 1233.2365857
1237.9308329 1242.7117766 1244.6996755 1245.6235311 1251.0486908
1254.4744523 1260.1762996 1262.5400991 1265.6877794 1267.7646600
1271.1082574 1274.6819785 1276.2351511 1282.6243961 1289.6361281
1297.4586310 1303.5179370 1316.3261451 1318.8247012 1331.5472461
1336.6006138 1348.7421300 1358.5843183 1373.4160373 1388.8038036
1429.5505630
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404110333413555790.eigenfacs
Openam> file on opening on unit 10:
2404110333413555790.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404110333413555790.atom
Openam> file on opening on unit 11:
2404110333413555790.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: 9.9274E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9760E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0029E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0088E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0125E-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: 3.848
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: 5.321
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.428
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: 7.724
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: 9.292
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: 9.657
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: 18.63
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= 0.622 for 197 C-alpha atoms.
Bfactors> = 1.617 +/- 2.54
Bfactors> = 41.035 +/- 12.57
Bfactors> Shiftng-fct= 39.418
Bfactors> Scaling-fct= 4.937
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404110333413555790 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=0
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=100
2404110333413555790.eigenfacs
2404110333413555790.atom
making animated gifs
11 models are in 2404110333413555790.7.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 2404110333413555790.7.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 2404110333413555790.7.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 2404110333413555790 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=0
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=100
2404110333413555790.eigenfacs
2404110333413555790.atom
making animated gifs
11 models are in 2404110333413555790.8.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 2404110333413555790.8.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 2404110333413555790.8.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 2404110333413555790 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=0
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=100
2404110333413555790.eigenfacs
2404110333413555790.atom
making animated gifs
11 models are in 2404110333413555790.9.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 2404110333413555790.9.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 2404110333413555790.9.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 2404110333413555790 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=0
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=100
2404110333413555790.eigenfacs
2404110333413555790.atom
making animated gifs
11 models are in 2404110333413555790.10.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 2404110333413555790.10.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 2404110333413555790.10.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 2404110333413555790 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=0
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=100
2404110333413555790.eigenfacs
2404110333413555790.atom
making animated gifs
11 models are in 2404110333413555790.11.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 2404110333413555790.11.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 2404110333413555790.11.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 2404110333413555790 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=0
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=100
2404110333413555790.eigenfacs
2404110333413555790.atom
making animated gifs
11 models are in 2404110333413555790.12.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 2404110333413555790.12.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 2404110333413555790.12.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 2404110333413555790 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=0
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=100
2404110333413555790.eigenfacs
2404110333413555790.atom
making animated gifs
11 models are in 2404110333413555790.13.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 2404110333413555790.13.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 2404110333413555790.13.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 2404110333413555790 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=0
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=100
2404110333413555790.eigenfacs
2404110333413555790.atom
making animated gifs
11 models are in 2404110333413555790.14.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 2404110333413555790.14.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 2404110333413555790.14.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 2404110333413555790 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=0
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=100
2404110333413555790.eigenfacs
2404110333413555790.atom
making animated gifs
11 models are in 2404110333413555790.15.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 2404110333413555790.15.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 2404110333413555790.15.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 2404110333413555790 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=-20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=0
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=20
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=40
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=60
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=80
2404110333413555790.eigenfacs
2404110333413555790.atom
calculating perturbed structure for DQ=100
2404110333413555790.eigenfacs
2404110333413555790.atom
making animated gifs
11 models are in 2404110333413555790.16.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 2404110333413555790.16.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 2404110333413555790.16.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
2404110333413555790.10.pdb
2404110333413555790.11.pdb
2404110333413555790.12.pdb
2404110333413555790.13.pdb
2404110333413555790.14.pdb
2404110333413555790.15.pdb
2404110333413555790.16.pdb
2404110333413555790.7.pdb
2404110333413555790.8.pdb
2404110333413555790.9.pdb
STDERR:
real 0m3.098s
user 0m3.090s
sys 0m0.008s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404110333413555790.Chkmod.res: No such file or directory
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
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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
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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
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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
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
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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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