*** ***
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 = 2404111256193644543.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 2404111256193644543.atom to be opened.
Openam> File opened: 2404111256193644543.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 = 194
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.651835 +/- 9.289569 From: -18.713000 To: 21.675000
= 0.234562 +/- 7.614984 From: -19.122000 To: 16.223000
= 31.392696 +/- 10.813524 From: 11.966000 To: 53.399000
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 9.3968 % Filled.
Pdbmat> 15942 non-zero elements.
Pdbmat> 1642 atom-atom interactions.
Pdbmat> Number per atom= 16.93 +/- 5.13
Maximum number = 28
Minimum number = 6
Pdbmat> Matrix trace = 32840.0
Pdbmat> Larger element = 111.985
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 194 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) = 582
Diagstd> Number of non-zero elements 15942
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 32840.0000006
%Diagstd-Wn: Nb on non-zero elements there: 582
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 582 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 32840.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.4903487 0.5913492 0.8650760 0.9265381
1.0259013 1.4610732 1.5174357 1.8401003 1.9686714
2.2140845 2.3174293 2.4467454 2.6748544 2.8955018
2.9643683 3.2643730 3.4465097 3.8685610 3.9299297
4.1649405 4.2831464 4.5310334 4.8990211 5.0201478
5.1463626 5.2944246 5.4318061 5.8026263 5.9369596
6.3325332 6.5106837 6.5806835 6.6806310 6.8236274
7.1088857 7.3862599 7.8964254 8.0196479 8.0704806
8.1250019 8.5017296 8.8513268 9.0452518 9.2268990
9.4500316 9.6721123 9.7238442 9.9618801 10.0440826
10.4561016 10.5208788 10.8406654 11.1017343 11.1414491
11.4019329 11.4617740 11.9901080 12.1886080 12.4411813
12.9816185 13.1229496 13.2083774 13.3270404 13.5406834
14.2095256 14.2821052 14.3652499 14.5614811 14.7529439
14.9905670 15.0516972 15.5767558 15.7183239 15.9394268
16.0621557 16.3182134 16.4540170 16.7099271 16.7915689
17.2022549 17.3949693 17.6327413 17.7852209 17.9280743
18.1599256 18.2784637 18.3403534 18.5824245 18.6646165
18.9010728 19.0738056 19.3942194 19.4728089 19.7594796
19.8526226 20.1356391 20.3594198 20.4052436 20.6441115
20.8807644 21.2060246 21.3259081 21.5137170 21.7169498
21.8417821 22.0204491 22.5018593 22.7480557 22.8848172
22.9592629 23.2531098 23.4616972 23.6095663 23.7111555
23.9660136 24.1481875 24.2278238 24.4837745 24.6308716
24.8343697 24.9610849 25.2081760 25.4420811 25.7241655
26.0505313 26.2425960 26.3374767 26.4539552 26.5798295
26.8212991 26.9557572 27.1714923 27.2573601 27.4802666
27.7211697 27.7889911 28.1730600 28.3233034 28.4499401
28.5188789 28.6631352 28.7457141 28.9232164 29.0726337
29.2098850 29.3750786 29.5843125 29.6998854 29.8659906
30.0246687 30.1968560 30.3453438 30.4915196 30.6676352
30.8569655 30.9042599 31.0628275 31.1832476 31.5138311
31.7232985 31.9287073 32.0577562 32.3059251 32.4305205
32.7111180 32.7699639 33.1054661 33.1784396 33.4442619
33.4515791 33.6423500 33.8515759 33.9165312 34.0399904
34.2991459 34.5526944 34.7115496 34.7273081 34.8552178
34.9509736 35.0796005 35.2302092 35.4613309 35.6980419
35.7851460 35.9321855 36.1301889 36.2042817 36.4494658
36.6250705 36.7882824 36.9084766 37.0047793 37.1350145
37.2175687 37.4598995 37.5928056 37.9325526 38.1667511
38.2710742 38.4949391 38.6073877 38.7312906 38.8418849
39.0138755 39.1453360 39.2371578 39.4094536 39.4862265
39.7461587 39.8083101 39.8994087 39.9801372 40.1549858
40.3090270 40.3286915 40.5525750 40.7411780 40.8656116
41.0224513 41.1683548 41.2396030 41.4066024 41.5996716
41.7037803 41.9459950 42.0614654 42.1972830 42.5680652
42.6684876 42.7098941 42.8722054 43.0473058 43.1284197
43.3178405 43.6281908 43.6974569 43.8909756 44.0730006
44.2061895 44.3768560 44.4933704 44.6162587 44.7844344
44.9108215 45.0038151 45.1171159 45.2581982 45.4145371
45.4884972 45.6467441 45.8683635 45.8877771 46.0861653
46.1975343 46.3292072 46.4741265 46.7418491 46.9801739
47.1282719 47.3128898 47.3469214 47.5503863 47.6058722
47.7853112 48.0964259 48.2889610 48.5117064 48.6986147
48.7780285 49.1135475 49.1687718 49.2373768 49.3922067
49.4655267 49.6551412 49.8117859 50.0456111 50.3222868
50.4869160 50.6378043 51.0836946 51.1657230 51.3350052
51.6428438 51.6856865 52.1101164 52.1528360 52.2500758
52.3232944 52.4674687 52.8080029 52.9689884 53.0296040
53.4976630 53.5359445 53.6235573 53.8090560 54.1091426
54.3898895 54.4721473 54.7539318 55.0749889 55.1777441
55.4386237 55.5999639 55.8232804 55.8802742 56.0560249
56.2017893 56.4262330 56.5369710 56.8574055 57.1044116
57.2071392 57.2352028 57.5476826 57.6525581 57.9938035
58.2163526 58.4139955 58.5999696 58.6117029 59.0544498
59.0769267 59.2372554 59.5146331 59.6219202 59.8627012
60.0137741 60.0784942 60.2826253 60.5007244 60.6538450
60.7023162 60.8699971 61.0533931 61.2418288 61.3703502
61.6190936 61.8053557 61.9976394 62.1488684 62.2789469
62.5539698 62.6837162 63.0966480 63.2138615 63.3693186
63.5141796 63.6631345 63.8431620 64.0839376 64.4502900
64.6807392 64.8553840 64.9742141 65.1283093 65.5548692
65.6827978 66.1613186 66.3585804 66.4586662 66.7738415
66.9215838 67.0427982 67.2386057 67.2812288 67.5298535
67.5806105 67.8590926 68.2317711 68.3900785 68.5701882
68.7116038 68.9254912 69.1861913 69.2574860 69.4227695
69.5650834 69.9268369 70.0319990 70.3713855 70.4973832
70.7516367 70.8498854 71.0971066 71.2252877 71.6357593
71.7027666 71.7720518 72.1840600 72.3361741 72.5427577
72.6568548 72.7485041 73.1730776 73.3120583 73.4258025
73.6935218 74.0990953 74.2371866 74.4688803 74.7238074
74.8598346 75.0834386 75.2852882 75.5729221 75.7108937
76.1858277 76.5067033 76.5486625 76.7127725 76.9911030
77.0904922 77.4788518 77.7472155 77.9178668 78.1390842
78.3387410 78.5331369 78.9362744 79.2129093 79.5066574
79.5779251 79.7251198 80.0768017 80.2416536 80.4063452
80.9385467 81.1604686 81.5000823 81.7260806 81.8868232
82.0316990 82.1162497 82.1769973 82.5290741 82.7805053
83.0104385 83.4818631 83.6482012 83.7325955 83.8172173
84.1349637 84.2670888 84.6261414 84.8972508 85.0694490
85.6500534 85.8361305 86.0835370 86.3649284 86.8019453
87.1012392 87.1387874 87.1911125 87.4670256 87.9365705
88.0697473 88.1765561 88.4369450 88.6961305 88.9505829
89.2684638 89.7047092 90.0931290 90.3611036 90.5462151
90.6728017 90.9075103 91.1041291 91.3552505 91.7395169
92.2500338 92.9219088 93.0573170 93.4346255 93.6983096
93.7408754 94.1876510 94.6155745 95.1979108 95.5619295
95.8874799 96.1659242 96.5128845 96.7644546 96.9368824
97.7464054 97.8879745 97.9942604 98.3811341 98.7180066
98.8331308 98.9563247 99.6131921 99.9738012 100.0001051
100.5126688 100.7894952 101.2163674 101.5657450 101.6524629
102.0561016 102.6084303 102.9297588 103.5751435 104.6513378
104.8017903 105.2129803 105.5094621 105.7367844 105.8732690
106.4694918 107.0087690 107.2001688 107.4277204 108.2362048
108.7283005 109.0992258 109.9625096 110.0397438 110.4634318
110.9605503 111.3217885 112.1009171 112.8220664 113.2096753
113.6526118 114.0164029 114.4733047 114.5794778 115.1747491
115.5794595 116.3528090 116.7820632 117.7728217 118.0484010
118.3960607 119.0323956 119.2374419 120.0415863 120.6443663
121.0871733 121.8585872 122.9472072 123.2267990 123.8741230
124.6159200 125.6494169 125.9872934 127.5838064 128.1689338
128.5168226 129.6282241 130.1860759 131.4847678 132.1485007
133.1330997 134.4591769 134.8620851 135.2406031 135.9898998
136.7442114 138.2092640 139.4627488 141.2440076 141.4764480
143.2365290 143.7058844 145.0994690 148.4585706 151.6461778
154.3115062 161.4520708
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034204 0.0034287 0.0034313 0.0034384 0.0034426
0.0034503 76.0409957 83.5059242 101.0002435 104.5266233
109.9887009 131.2596580 133.7674447 147.3045065 152.3638367
161.5817763 165.3097715 169.8594345 177.6009777 184.7809530
186.9654509 196.1982683 201.5974504 213.5846346 215.2720632
221.6152696 224.7381187 231.1500079 240.3532150 243.3064002
246.3459744 249.8645620 253.0855852 261.5818349 264.5923774
273.2650037 277.0821687 278.5677152 280.6751873 283.6631566
289.5316503 295.1260681 305.1480145 307.5196921 308.4927630
309.5330426 316.6277131 323.0721091 326.5920513 329.8550705
333.8196609 337.7193513 338.6213026 342.7409015 344.1520953
351.1398968 352.2259012 357.5388596 361.8184388 362.4650369
366.6777182 367.6386826 376.0164352 379.1161934 383.0240896
391.2548205 393.3788540 394.6571859 396.4260061 399.5908838
409.3408340 410.3849206 411.5777345 414.3793026 417.0946562
420.4402733 421.2966607 428.5818603 430.5250222 433.5424532
435.2083271 438.6635864 440.4851295 443.8973557 444.9804363
450.3892020 452.9049984 455.9898732 457.9572220 459.7927317
462.7562708 464.2641243 465.0494448 468.1084368 469.1425410
472.1048994 474.2572249 478.2240718 479.1920249 482.7063715
483.8427340 487.2793298 489.9795777 490.5306767 493.3934484
496.2133875 500.0632175 501.4747233 503.6780286 506.0514743
507.5038198 509.5752975 515.1153389 517.9256529 519.4802066
520.3244701 523.6436013 525.9869782 527.6419113 528.7758840
531.6100477 533.6266984 534.5058756 537.3218059 538.9334884
541.1552189 542.5340607 545.2127353 547.7363918 550.7644847
554.2472833 556.2867008 557.2914271 558.5223889 559.8496049
562.3868862 563.7947764 566.0463914 566.9401002 569.2535546
571.7432626 572.4422372 576.3844956 577.9193453 579.2098757
579.9112112 581.3760360 582.2129096 584.0077011 585.5142489
586.8947224 588.5519445 590.6443054 591.7968743 593.4494644
595.0238758 596.7276257 598.1929794 599.6320186 601.3612288
603.2146597 603.6767560 605.2234863 606.3954749 609.6012958
611.6239024 613.6008432 614.8396142 617.2148563 618.4039287
621.0734639 621.6318550 624.8059168 625.4941593 627.9948581
628.0635532 629.8518981 631.8074258 632.4132997 633.5632740
635.9704449 638.3167487 639.7823887 639.9275983 641.1050246
641.9850569 643.1652917 644.5444766 646.6552318 648.8099145
649.6009884 650.9342099 652.7252244 653.3941593 655.6028971
657.1802676 658.6429323 659.7180102 660.5781272 661.7395309
662.4746737 664.6279239 665.8059161 668.8077769 670.8692359
671.7854699 673.7473947 674.7307281 675.8125689 676.7767470
678.2734645 679.4152535 680.2116263 681.7034420 682.3671270
684.6094055 685.1444614 685.9279668 686.6215353 688.1213273
689.4399380 689.6080875 691.5196065 693.1258105 694.1834920
695.5143333 696.7500946 697.3527505 698.7632858 700.3904749
701.2663379 703.2998598 704.2672285 705.4033608 708.4957281
709.3309421 709.6750344 711.0222520 712.4727652 713.1437044
714.7080590 717.2637497 717.8329036 719.4206463 720.9108962
721.9993733 723.3917396 724.3407742 725.3403797 726.7061357
727.7308399 728.4838797 729.4003125 730.5398485 731.8005409
732.3961872 733.6690232 735.4478849 735.6035057 737.1919208
738.0821096 739.1332075 740.2883216 742.4175418 744.3078342
745.4800710 746.9387968 747.2073806 748.8111543 749.2479155
750.6586437 753.0983265 754.6041871 756.3425894 757.7982251
758.4158517 761.0197585 761.4474916 761.9785291 763.1756318
763.7418679 765.2042807 766.4103073 768.2070328 770.3276110
771.5866441 772.7387892 776.1335019 776.7563962 778.0402867
780.3696222 780.6932508 783.8921258 784.2133748 784.9441238
785.4939071 786.5753572 789.1238184 790.3257272 790.7778067
794.2599892 794.5441138 795.1939929 796.5682039 798.7862978
800.8558799 801.4612473 803.5315537 805.8839187 806.6353499
808.5399818 809.7156536 811.3401299 811.7542001 813.0297346
814.0861222 815.7100424 816.5100766 818.8206736 820.5973514
821.3351232 821.5365566 823.7761234 824.5264110 826.9629963
828.5481964 829.9534543 831.2735762 831.3567932 834.4908789
834.6496726 835.7814823 837.7359650 838.4907188 840.1821204
841.2416181 841.6951017 843.1238194 844.6476294 845.7158089
846.0536656 847.2214069 848.4967496 849.8051442 850.6963730
852.4186302 853.7060035 855.0329614 856.0751544 856.9705754
858.8606759 859.7509177 862.5780931 863.3789195 864.4398891
865.4273712 866.4415866 867.6657901 869.3003906 871.7816394
873.3388254 874.5170835 875.3178758 876.3552288 879.2204034
880.0778730 883.2778838 884.5936627 885.2605082 887.3571669
888.3382978 889.1424527 890.4399361 890.7221197 892.3663474
892.7016460 894.5390508 896.9920676 898.0320390 899.2137745
900.1405431 901.5404460 903.2438055 903.7090713 904.7867828
905.7136968 908.0655964 908.7481545 910.9474638 911.7626102
913.4052967 914.0392735 915.6325936 916.4576193 919.0945999
919.5243549 919.9685084 922.6052739 923.5768699 924.8947429
925.6218058 926.2054112 928.9042308 929.7859660 930.5069715
932.2017977 934.7634723 935.6340808 937.0929970 938.6955877
939.5496001 940.9517562 942.2157051 944.0138972 944.8752355
947.8342009 949.8281237 950.0885487 951.1064343 952.8302817
953.4450963 955.8436700 957.4976178 958.5478721 959.9076188
961.1331890 962.3249653 964.7917759 966.4808703 968.2712299
968.7050994 969.6005887 971.7367775 972.7365068 973.7342392
976.9514492 978.2898626 980.3345390 981.6928235 982.6577683
983.5266532 984.0333866 984.3973016 986.5038097 988.0053969
989.3765993 992.1820064 993.1699790 993.6708666 994.1728515
996.0554957 996.8372892 998.9587379 1000.5575966 1001.5718050
1004.9838884 1006.0749739 1007.5238413 1009.1692039 1011.7192404
1013.4619483 1013.6803699 1013.9846713 1015.5877632 1018.3100792
1019.0808846 1019.6986553 1021.2031510 1022.6984953 1024.1644092
1025.9927950 1028.4966975 1030.7209787 1032.2527377 1033.3095207
1034.0315686 1035.3690107 1036.4880769 1037.9155932 1040.0961882
1042.9861643 1046.7774095 1047.5398270 1049.6613471 1051.1414406
1051.3801726 1053.8826705 1056.2740142 1059.5195851 1061.5433530
1063.3499931 1064.8927865 1066.8120880 1068.2015576 1069.1528659
1073.6078490 1074.3850373 1074.9681577 1077.0880130 1078.9304968
1079.5594335 1080.2320507 1083.8113851 1085.7713623 1085.9141905
1088.6936319 1090.1918104 1092.4980073 1094.3819197 1094.8490178
1097.0205619 1099.9850993 1101.7061094 1105.1546418 1110.8813416
1111.6795871 1113.8582904 1115.4265684 1116.6275266 1117.3479635
1120.4897055 1123.3238100 1124.3279703 1125.5206317 1129.7479399
1132.3132260 1134.2430181 1138.7217129 1139.1215436 1141.3124270
1143.8776676 1145.7381332 1149.7405878 1153.4328209 1155.4124758
1157.6705635 1159.5218798 1161.8428524 1162.3815274 1165.3970586
1167.4427967 1171.3420019 1173.5006974 1178.4680713 1179.8460277
1181.5821093 1184.7531369 1185.7731313 1189.7648749 1192.7482924
1194.9351894 1198.7354520 1204.0779803 1205.4462879 1208.6083119
1212.2216726 1217.2380482 1218.8735513 1226.5720318 1229.3814788
1231.0488030 1236.3603415 1239.0178085 1245.1824819 1248.3213560
1252.9631606 1259.1877921 1261.0729650 1262.8414542 1266.3349906
1269.8422003 1276.6265065 1282.4026027 1290.5662278 1291.6277115
1299.6373216 1301.7648968 1308.0615858 1323.1159888 1337.2450978
1348.9455986 1379.8030168
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404111256193644543.eigenfacs
Openam> file on opening on unit 10:
2404111256193644543.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404111256193644543.atom
Openam> file on opening on unit 11:
2404111256193644543.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 = 194
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: 9.9212E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9691E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9843E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0026E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0050E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0095E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4903
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5913
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8651
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9265
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.517
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.840
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.969
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.214
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.317
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.447
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.675
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.896
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.964
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.264
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.447
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.869
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.930
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.165
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.283
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.899
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.020
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.294
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.432
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.803
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.937
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.333
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.581
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.681
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.824
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.109
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.386
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.896
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.020
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.125
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.851
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.045
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.227
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.450
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.724
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 9.962
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 10.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 11.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.21
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: 13.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.32
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: 16.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 17.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 18.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 18.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 19.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 19.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 20.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 20.88
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 582 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 : 0.490300
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= 0.614 for 194 C-alpha atoms.
Bfactors> = 1.652 +/- 2.51
Bfactors> = 41.664 +/- 11.38
Bfactors> Shiftng-fct= 40.012
Bfactors> Scaling-fct= 4.541
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404111256193644543 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=0
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=100
2404111256193644543.eigenfacs
2404111256193644543.atom
making animated gifs
11 models are in 2404111256193644543.7.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 2404111256193644543.7.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 2404111256193644543.7.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 2404111256193644543 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=0
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=100
2404111256193644543.eigenfacs
2404111256193644543.atom
making animated gifs
11 models are in 2404111256193644543.8.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 2404111256193644543.8.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 2404111256193644543.8.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 2404111256193644543 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=0
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=100
2404111256193644543.eigenfacs
2404111256193644543.atom
making animated gifs
11 models are in 2404111256193644543.9.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 2404111256193644543.9.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 2404111256193644543.9.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 2404111256193644543 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=0
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=100
2404111256193644543.eigenfacs
2404111256193644543.atom
making animated gifs
11 models are in 2404111256193644543.10.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 2404111256193644543.10.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 2404111256193644543.10.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 2404111256193644543 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=0
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=100
2404111256193644543.eigenfacs
2404111256193644543.atom
making animated gifs
11 models are in 2404111256193644543.11.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 2404111256193644543.11.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 2404111256193644543.11.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 2404111256193644543 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=0
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=100
2404111256193644543.eigenfacs
2404111256193644543.atom
making animated gifs
11 models are in 2404111256193644543.12.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 2404111256193644543.12.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 2404111256193644543.12.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 2404111256193644543 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=0
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=100
2404111256193644543.eigenfacs
2404111256193644543.atom
making animated gifs
11 models are in 2404111256193644543.13.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 2404111256193644543.13.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 2404111256193644543.13.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 2404111256193644543 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=0
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=100
2404111256193644543.eigenfacs
2404111256193644543.atom
making animated gifs
11 models are in 2404111256193644543.14.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 2404111256193644543.14.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 2404111256193644543.14.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 2404111256193644543 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=0
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=100
2404111256193644543.eigenfacs
2404111256193644543.atom
making animated gifs
11 models are in 2404111256193644543.15.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 2404111256193644543.15.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 2404111256193644543.15.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 2404111256193644543 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=-20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=0
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=20
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=40
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=60
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=80
2404111256193644543.eigenfacs
2404111256193644543.atom
calculating perturbed structure for DQ=100
2404111256193644543.eigenfacs
2404111256193644543.atom
making animated gifs
11 models are in 2404111256193644543.16.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 2404111256193644543.16.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 2404111256193644543.16.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
2404111256193644543.10.pdb
2404111256193644543.11.pdb
2404111256193644543.12.pdb
2404111256193644543.13.pdb
2404111256193644543.14.pdb
2404111256193644543.15.pdb
2404111256193644543.16.pdb
2404111256193644543.7.pdb
2404111256193644543.8.pdb
2404111256193644543.9.pdb
STDERR:
real 0m2.954s
user 0m2.946s
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: 2404111256193644543.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
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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
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
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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