*** ***
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 = 2404210126421606198.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 2404210126421606198.atom to be opened.
Openam> File opened: 2404210126421606198.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 = 182
First residue number = 97
Last residue number = 287
Number of atoms found = 200
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 1.981175 +/- 7.208065 From: -13.191000 To: 20.163000
= 15.894670 +/- 10.284942 From: -4.521000 To: 38.275000
= -11.753035 +/- 9.209489 From: -32.879000 To: 7.859000
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 10.0948 % Filled.
Pdbmat> 18201 non-zero elements.
Pdbmat> 1889 atom-atom interactions.
Pdbmat> Number per atom= 18.89 +/- 6.20
Maximum number = 33
Minimum number = 4
Pdbmat> Matrix trace = 37780.0
Pdbmat> Larger element = 128.583
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 200 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 600
Diagstd> Number of non-zero elements 18201
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 37780.0000006
%Diagstd-Wn: Nb on non-zero elements there: 600
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 600 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 37780.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.4954062 0.7431440 0.8513979 0.9010577
0.9549073 1.1608591 1.3280836 1.4929440 1.6228431
1.9267039 2.1076878 2.3053727 2.5846213 3.2642181
3.3770599 3.4799776 3.6060604 3.9173612 4.1148674
4.3267424 4.4155507 4.5433311 4.6077014 4.9648800
5.3585951 5.5433869 5.6800918 5.8465101 5.9451062
6.4434105 6.7161406 6.9861285 7.1972332 7.4064399
7.5586918 7.6797017 7.9120011 8.2083150 8.3158894
8.5807845 8.7855870 9.2010787 9.4908149 9.6586050
9.9298295 10.0377660 10.3437374 10.4981240 10.5724478
11.1096569 11.3572817 11.4103363 11.5676337 11.9739458
12.0911287 12.3019581 12.6355754 12.8092825 13.4821658
13.8714471 13.9180248 14.0314797 14.3504998 14.6272555
14.7789439 14.8827539 15.0602707 15.2590940 15.5175035
15.8270623 15.9793516 16.5561836 16.8680651 16.9297161
17.0003228 17.1776531 17.4089625 17.5720708 17.9028074
18.0765240 18.2104617 18.6166896 18.9445708 19.3473043
19.4123174 19.5537978 20.0941274 20.4468798 20.6281965
20.8436600 21.0568861 21.1375586 21.1893159 21.4508886
21.6792435 21.9905588 22.1926800 22.5296435 22.6082741
22.7384128 22.8463768 22.9090544 22.9757845 23.1091897
23.3728645 23.6245150 23.9567774 24.1790139 24.3590996
24.4773526 24.6607997 24.9638280 25.0709827 25.1679565
25.2055147 25.3807843 25.5680522 25.7608200 26.0525140
26.2842180 26.5604488 26.6643034 26.7467479 27.3005348
27.3800267 27.5215129 27.8677332 27.9833240 28.1054777
28.3918453 28.6134823 28.7881798 28.9801854 29.2159797
29.3720388 29.6111078 29.7388756 29.8493121 29.8905123
30.1520792 30.1921464 30.4857495 30.6560218 30.9072125
30.9820990 31.2144365 31.4214508 31.5617617 31.7429030
31.9202057 32.0110951 32.3276074 32.5727601 32.7063995
32.8838947 33.0328593 33.2380580 33.5675843 33.7466104
33.8889786 34.1010526 34.1052030 34.2646185 34.4585355
34.8987581 34.9965863 35.2600669 35.4559133 35.7033167
35.8565170 35.8908644 36.0519942 36.3531255 36.5697715
36.7004365 36.9303869 37.0212425 37.2411478 37.4873573
37.6526608 37.7870117 38.0447100 38.2440549 38.4106816
38.6305997 38.6906526 39.0591816 39.1447291 39.3774873
39.5299113 39.6814441 39.9112652 40.0721421 40.2330371
40.5137349 40.6764320 40.7657286 40.9337812 41.0661989
41.3327767 41.4428313 41.5861560 41.9398007 42.0783654
42.1848479 42.4977240 42.5439290 42.8248825 42.9200042
43.0401399 43.3829913 43.6537681 43.7077670 43.7862090
43.9506700 44.1985972 44.2658257 44.2703200 44.4607886
44.6193752 44.7116206 44.8049777 45.0339333 45.2268225
45.3562068 45.5108698 45.9193683 45.9646150 46.0434094
46.0641155 46.2863528 46.4069019 46.4308514 46.6559932
46.8319727 47.0216453 47.1357925 47.3426383 47.3832396
47.4654224 47.6873472 47.8914316 48.0327607 48.1685754
48.2692142 48.4370373 48.6237181 48.8301698 49.0768465
49.1866182 49.4471700 49.5642276 49.6950759 49.8337879
49.9742397 50.0794592 50.3050336 50.4141074 50.6731260
50.7903423 50.8112598 50.8804279 51.2563254 51.2955417
51.3448306 51.3896994 51.4699488 51.6370258 52.0329934
52.1667334 52.3625570 52.4909437 52.5804512 52.9508930
53.0055481 53.4801101 53.4898105 53.7056157 53.7696166
53.9772006 54.1277514 54.2507934 54.4233132 54.5599620
54.6392936 54.7539292 54.8216369 54.9842419 55.3524625
55.6224509 55.7235968 56.1034477 56.2676170 56.4691946
56.5006144 56.9181100 57.0132724 57.0549262 57.3647019
57.4400379 57.7534367 58.0471313 58.1405474 58.2958864
58.4113801 58.7817398 58.8754690 58.9691593 59.2670450
59.6550689 59.8947280 59.9874168 60.1107907 60.2682722
60.3310741 60.5578155 60.7814314 60.9691332 61.1173316
61.1638892 61.7649757 61.8974184 61.9130734 62.1852938
62.4761957 62.6149650 62.8885330 63.0931994 63.3185967
63.3695845 63.5351429 63.7584721 63.9327281 64.2093157
64.3294900 64.5848559 64.8407260 64.9519399 65.1145171
65.3082777 65.4860040 65.8619784 65.9658309 66.1195015
66.4523713 66.9799783 67.2184951 67.4942754 67.6331563
67.8381416 67.8683093 68.2439928 68.4161091 68.5399433
68.7894484 68.9232673 69.0225205 69.3355166 69.5486196
69.7199181 69.8239462 70.1813523 70.2835837 70.7224994
70.8634680 71.2475085 71.3349647 71.6579436 71.8399819
71.9917272 72.0912328 72.4244990 72.8280999 72.9474584
73.0265980 73.4771056 73.5972591 73.6148277 73.8178315
74.1680826 74.2621286 74.5464177 74.8750219 75.0270410
75.1026189 75.1526330 75.2790658 75.6145776 76.1220308
76.2193875 76.5592579 76.7210286 76.8810415 77.0156572
77.2699631 77.5960755 77.9593383 78.0438985 78.5050734
78.8804392 79.0347580 79.5193924 79.5774898 79.6795084
80.0019644 80.1816407 80.3309286 80.5423550 81.0124138
81.4419497 81.7532680 81.9240331 82.1470604 82.5544049
83.0046080 83.3672322 83.4714602 83.8675182 84.2380428
84.5568393 84.6627165 84.9077397 85.3858038 85.5013155
85.6992212 86.0498167 86.1238569 86.3236535 86.4642712
86.5963997 87.0411943 87.0511262 87.3227830 87.4427061
87.5771984 87.7948118 88.2637388 88.4244374 89.0514812
89.2289471 89.3595524 89.4673787 89.7209668 89.7672279
90.1480790 90.5145185 90.7976184 91.1520855 91.2215883
91.9300870 92.3900378 92.4788504 92.6875099 93.0567706
93.3402521 93.7214504 93.8433081 93.9849279 94.2072388
94.3970329 94.8333371 95.1963432 95.3670910 95.6714678
96.0178989 96.1648996 96.3044669 96.7944681 97.0481325
97.3020644 97.7104670 98.1194940 98.2215049 98.3549405
98.6134408 99.0300311 99.3323086 99.8142053 100.2364074
100.8146337 100.8756204 101.2122101 101.5721828 102.3748532
102.5507315 102.9057004 102.9941744 103.0566242 103.9075467
104.3523541 104.7515710 105.0291269 105.3662438 105.5247739
105.5787810 105.8272693 105.9814342 106.1303092 106.3333691
106.9809573 107.1992784 107.8020346 107.9306244 108.4896909
109.0834476 109.4909373 109.5897253 110.5622177 110.6265017
110.8671683 111.3708064 112.0482195 112.1840606 112.4275652
112.6836991 112.9870923 113.2845342 113.9459797 114.0775836
114.5077280 114.8824446 115.6652469 116.0379842 116.1921394
117.2524893 117.3963087 117.8364170 118.1763797 118.7679780
118.8140560 119.2655945 120.1090988 120.7979190 120.9528075
121.5984207 122.2115562 122.2698503 122.9629134 123.8852873
124.3351549 124.9879843 126.2463235 126.4663969 127.7120364
127.8184815 128.0597425 128.6252294 128.8683188 129.8220890
130.1145026 130.8884171 131.8314814 133.4082860 133.5352628
133.8132993 134.7904139 135.7964902 135.9273490 136.5221358
136.8929621 138.2554141 139.5425039 140.5712458 141.0647916
141.3332104 141.5440590 141.8930917 143.1064023 143.8168893
143.9818472 144.2322725 144.3579680 145.1768627 146.9277671
147.1047287 147.6945224 149.6673694 150.0162294 151.9819709
153.2242116 154.6533816 155.5268245 157.5742001 158.6648958
160.7984960 162.8081559 163.9643990 166.4802726 168.9056613
172.4168568 175.8540446 179.9404117 183.7153639 189.2107445
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034143 0.0034223 0.0034256 0.0034324 0.0034425
0.0034462 76.4321381 93.6120506 100.1985778 103.0793283
106.1147823 116.9997774 125.1434105 132.6835387 138.3354675
150.7310667 157.6516144 164.8791948 174.5796986 196.1936138
199.5559415 202.5739061 206.2109755 214.9275510 220.2790538
225.8789711 228.1853289 231.4634773 233.0974066 241.9633884
251.3742287 255.6718272 258.8051770 262.5691107 264.7738482
275.6469440 281.4201361 287.0209286 291.3252101 295.5289501
298.5510477 300.9313665 305.4488178 311.1159586 313.1479939
318.0964181 321.8701280 329.3932185 334.5392143 337.4834518
342.1891043 344.0438625 349.2480773 351.8447934 353.0880792
361.9475187 365.9590399 366.8128170 369.3325156 375.7629216
377.5971449 380.8749425 386.0048766 388.6491142 398.7265109
404.4419219 405.1203728 406.7682210 411.3663789 415.3141272
417.4620303 418.9256289 421.4166298 424.1892463 427.7659446
432.0116279 434.0850777 441.8505474 445.9928683 446.8071532
447.7379061 450.0670243 453.0871290 455.2047162 459.4686140
461.6924168 463.3997107 468.5398235 472.6478267 477.6453034
478.4471499 480.1874882 486.7767832 491.0308770 493.2032279
495.7723144 498.3016828 499.2553101 499.8661734 502.9420226
505.6119641 509.2293344 511.5642139 515.4332614 516.3319330
517.8158669 519.0437290 519.7552230 520.5116509 522.0205976
524.9902656 527.8089270 531.5076006 533.9671903 535.9520002
537.2513341 539.2608085 542.5638706 543.7270744 544.7776194
545.1839540 547.0761717 549.0907177 551.1567389 554.2683745
556.7276744 559.6454593 560.7385331 561.6047498 567.3889287
568.2143716 569.6806026 573.2526911 574.4403397 575.6927571
578.6182006 580.8722618 582.6427996 584.5825674 586.9559467
588.5214910 590.9117259 592.1852039 593.2837371 593.6930428
596.2850391 596.6810906 599.5752792 601.2473543 603.7055929
604.4365234 606.6986514 608.7071414 610.0647034 611.8128600
613.5191468 614.3919916 617.4219457 619.7585984 621.0286687
622.7115263 624.1203793 626.0558833 629.1516278 630.8271246
632.1563718 634.1312743 634.1698632 635.6502620 637.4464226
641.5053260 642.4038305 644.8175461 646.6058340 648.8578471
650.2484581 650.5598241 652.0185127 654.7359056 656.6839526
657.8560829 659.9137983 660.7250547 662.6844947 664.8714631
666.3357525 667.5234923 669.7957987 671.5482886 673.0096430
674.9335324 675.4579352 678.6671838 679.4099869 681.4269099
682.7444838 684.0518387 686.0298740 687.4111304 688.7897711
691.1883689 692.5748330 693.3346174 694.7622490 695.8850934
698.1400799 699.0689120 700.2766885 703.2479279 704.4086993
705.2994153 707.9101124 708.2948397 710.6297260 711.4185056
712.4134618 715.2453237 717.4739685 717.9175827 718.5615149
719.9097084 721.9373706 722.4862145 722.5228904 724.0755140
725.3657122 726.1151294 726.8727924 728.7276031 730.2865779
731.3304291 732.5762724 735.8566735 736.2191227 736.8498808
737.0155462 738.7912806 739.7527158 739.9435760 741.7353882
743.1329297 744.6362782 745.5395497 747.1735829 747.4939041
748.1418602 749.8887912 751.4917025 752.5997238 753.6629769
754.4498818 755.7602847 757.2152692 758.8210986 760.7353625
761.5856672 763.6001421 764.5034532 765.5119235 766.5795511
767.6590570 768.4667756 770.1955445 771.0300803 773.0082492
773.9017880 774.0611339 774.5878097 777.4438180 777.7411729
778.1147414 778.4546532 779.0622273 780.3256631 783.3118302
784.3178543 785.7885626 786.7513028 787.4218009 790.1907193
790.5984257 794.1296781 794.2016956 795.8021906 796.2762270
797.8118066 798.9236420 799.8311741 801.1019132 802.1070060
802.6899363 803.5315344 804.0281973 805.2197177 807.9114321
809.8793783 810.6154012 813.3735690 814.5627417 816.0205151
816.2475026 819.2576693 819.9422492 820.2417187 822.4654265
823.0053133 825.2474607 827.3431223 828.0085828 829.1139747
829.9348740 832.5618344 833.2253418 833.8880468 835.9916069
838.7237789 840.4068403 841.0568664 841.9213071 843.0234412
843.4625585 845.0460586 846.6048302 847.9110414 848.9409294
849.2642190 853.4270772 854.3415893 854.4496215 856.3259906
858.3265935 859.2793028 861.1543747 862.5545205 864.0938631
864.4417026 865.5701795 867.0901063 868.2742042 870.1503539
870.9642607 872.6912627 874.4182529 875.1678266 876.2624315
877.5652054 878.7584730 881.2774678 881.9720023 882.9987025
885.2185818 888.7257866 890.3067642 892.1312452 893.0486290
894.4009492 894.5997974 897.0723989 898.2029276 899.0154404
900.6502914 901.5259016 902.1747908 904.2180209 905.6065134
906.7210840 907.3972846 909.7166563 910.3789955 913.2171956
914.1268843 916.6005662 917.1629564 919.2369027 920.4037669
921.3753237 922.0118579 924.1405567 926.7119639 927.4710505
927.9740142 930.8319903 931.5927515 931.7039362 932.9877077
935.1985100 935.7912436 937.5807226 939.6449013 940.5983003
941.0719328 941.3852311 942.1767669 944.2740300 947.4372666
948.0429382 950.1542992 951.1576140 952.1489862 952.9822094
954.5542876 956.5664811 958.8029297 959.3227812 962.1530085
964.4504950 965.3934415 968.3487733 968.7024498 969.3231909
971.2825934 972.3726829 973.2774786 974.5574419 977.3971457
979.9848489 981.8560969 982.8810061 984.2179783 986.6551928
989.3418527 991.5005782 992.1201854 994.4711212 996.6654749
998.5496199 999.1745877 1000.6194034 1003.4323904 1004.1108936
1005.2723047 1007.3264904 1007.7597664 1008.9280272 1009.7494446
1010.5206629 1013.1125631 1013.1703626 1014.7500106 1015.4465655
1016.2271753 1017.4889615 1020.2026335 1021.1309339 1024.7451085
1025.7656802 1026.5161176 1027.1352567 1028.5898933 1028.8550350
1031.0352618 1033.1286445 1034.7430278 1036.7608402 1037.1560263
1041.1759210 1043.7773123 1044.2788721 1045.4563085 1047.5367519
1049.1311090 1051.2712337 1051.9544492 1052.7479070 1053.9922506
1055.0534260 1057.4888498 1059.5108616 1060.4606256 1062.1515781
1064.0728923 1064.8871132 1065.6595862 1068.3672072 1069.7661993
1071.1648368 1073.4104641 1075.6548265 1076.2138389 1076.9446183
1078.3589231 1080.6342745 1082.2822724 1084.9043662 1087.1964522
1090.3277576 1090.6574985 1092.4755711 1094.4166036 1098.7323870
1099.6757840 1101.5773477 1102.0507907 1102.3848507 1106.9266049
1109.2933401 1111.4132057 1112.8846642 1114.6692726 1115.5075021
1115.7929216 1117.1052047 1117.9185855 1118.7034951 1119.7731955
1123.1778238 1124.3233010 1127.4797720 1128.1520193 1131.0700852
1134.1609965 1136.2773953 1136.7898818 1141.8226429 1142.1545387
1143.3962350 1145.9903548 1149.4703152 1150.1668814 1151.4144699
1152.7253071 1154.2760815 1155.7944157 1159.1637297 1159.8329349
1162.0175283 1163.9172762 1167.8759761 1169.7562332 1170.5329798
1175.8618930 1176.5828156 1178.7862047 1180.4854022 1183.4365047
1183.6660495 1185.9131069 1190.0993949 1193.5070994 1194.2720183
1197.4551260 1200.4702929 1200.7565669 1204.1548867 1208.6627741
1210.8553086 1214.0299820 1220.1259109 1221.1889139 1227.1882693
1227.6995799 1228.8576922 1231.5679017 1232.7311253 1237.2845129
1238.6771698 1242.3555030 1246.8231188 1254.2574305 1254.8541841
1256.1598833 1260.7378274 1265.4341570 1266.0437209 1268.8106557
1270.5326813 1276.8396306 1282.7692362 1287.4889998 1289.7472072
1290.9736927 1291.9363062 1293.5282149 1299.0468441 1302.2675706
1303.0142064 1304.1468702 1304.7150148 1308.4103888 1316.2767785
1317.0692097 1319.7068615 1328.4916927 1330.0390836 1338.7248234
1344.1847932 1350.4390588 1354.2471573 1363.1317575 1367.8412786
1377.0073916 1385.5855925 1390.4970155 1401.1243135 1411.2936367
1425.8871067 1440.0297387 1456.6648317 1471.8651383 1493.7164973
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404210126421606198.eigenfacs
Openam> file on opening on unit 10:
2404210126421606198.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404210126421606198.atom
Openam> file on opening on unit 11:
2404210126421606198.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 = 182
First residue number = 97
Last residue number = 287
Number of atoms found = 200
Mean number per residue = 1.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8861E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9322E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9513E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9910E-10
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: 1.0071E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8514
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9011
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9549
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.161
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.328
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.493
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.927
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.108
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.585
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.264
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.377
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.480
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.606
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.115
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.327
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.416
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.543
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.965
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.359
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.543
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.680
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.847
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.945
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.443
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.716
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.986
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.197
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.406
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.559
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.680
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.912
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.208
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.316
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.581
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.786
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.201
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.491
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.930
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 11.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 14.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 17.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 17.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 18.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 18.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 19.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 19.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 20.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 20.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 20.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 20.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 21.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 21.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 21.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 21.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 22.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 22.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 22.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 22.74
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 600 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.495400
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= 0.567 for 200 C-alpha atoms.
Bfactors> = 1.597 +/- 3.27
Bfactors> = 16.863 +/- 6.60
Bfactors> Shiftng-fct= 15.266
Bfactors> Scaling-fct= 2.018
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404210126421606198 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=0
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=100
2404210126421606198.eigenfacs
2404210126421606198.atom
making animated gifs
11 models are in 2404210126421606198.7.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 2404210126421606198.7.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 2404210126421606198.7.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 2404210126421606198 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=0
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=100
2404210126421606198.eigenfacs
2404210126421606198.atom
making animated gifs
11 models are in 2404210126421606198.8.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 2404210126421606198.8.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 2404210126421606198.8.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 2404210126421606198 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=0
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=100
2404210126421606198.eigenfacs
2404210126421606198.atom
making animated gifs
11 models are in 2404210126421606198.9.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 2404210126421606198.9.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 2404210126421606198.9.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 2404210126421606198 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=0
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=100
2404210126421606198.eigenfacs
2404210126421606198.atom
making animated gifs
11 models are in 2404210126421606198.10.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 2404210126421606198.10.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 2404210126421606198.10.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 2404210126421606198 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=0
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=100
2404210126421606198.eigenfacs
2404210126421606198.atom
making animated gifs
11 models are in 2404210126421606198.11.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 2404210126421606198.11.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 2404210126421606198.11.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 2404210126421606198 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=0
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=100
2404210126421606198.eigenfacs
2404210126421606198.atom
making animated gifs
11 models are in 2404210126421606198.12.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 2404210126421606198.12.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 2404210126421606198.12.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 2404210126421606198 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=0
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=100
2404210126421606198.eigenfacs
2404210126421606198.atom
making animated gifs
11 models are in 2404210126421606198.13.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 2404210126421606198.13.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 2404210126421606198.13.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 2404210126421606198 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=0
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=100
2404210126421606198.eigenfacs
2404210126421606198.atom
making animated gifs
11 models are in 2404210126421606198.14.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 2404210126421606198.14.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 2404210126421606198.14.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 2404210126421606198 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=0
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=100
2404210126421606198.eigenfacs
2404210126421606198.atom
making animated gifs
11 models are in 2404210126421606198.15.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 2404210126421606198.15.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 2404210126421606198.15.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 2404210126421606198 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=-20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=0
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=20
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=40
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=60
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=80
2404210126421606198.eigenfacs
2404210126421606198.atom
calculating perturbed structure for DQ=100
2404210126421606198.eigenfacs
2404210126421606198.atom
making animated gifs
11 models are in 2404210126421606198.16.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 2404210126421606198.16.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 2404210126421606198.16.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
2404210126421606198.10.pdb
2404210126421606198.11.pdb
2404210126421606198.12.pdb
2404210126421606198.13.pdb
2404210126421606198.14.pdb
2404210126421606198.15.pdb
2404210126421606198.16.pdb
2404210126421606198.7.pdb
2404210126421606198.8.pdb
2404210126421606198.9.pdb
STDERR:
real 0m3.104s
user 0m3.100s
sys 0m0.004s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404210126421606198.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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