*** ***
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 = 2404251421432652759.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 2404251421432652759.atom to be opened.
Openam> File opened: 2404251421432652759.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 = 188
First residue number = 96
Last residue number = 290
Number of atoms found = 199
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 1.820146 +/- 7.597410 From: -16.942000 To: 20.028000
= -15.613593 +/- 10.288465 From: -37.068000 To: 4.885000
= 11.895638 +/- 9.359755 From: -7.801000 To: 32.625000
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 9.8021 % Filled.
Pdbmat> 17497 non-zero elements.
Pdbmat> 1812 atom-atom interactions.
Pdbmat> Number per atom= 18.21 +/- 5.65
Maximum number = 30
Minimum number = 5
Pdbmat> Matrix trace = 36240.0
Pdbmat> Larger element = 123.976
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 199 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) = 597
Diagstd> Number of non-zero elements 17497
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 36240.0000006
%Diagstd-Wn: Nb on non-zero elements there: 597
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 597 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 36240.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3456367 0.7326287 0.8713579 0.8957326
1.0595877 1.3944569 1.5722847 1.6593434 1.8502473
1.9461094 2.1577734 2.1705885 2.6967927 2.8701535
3.0687570 3.3053436 3.5531799 3.9137786 4.1403755
4.1729378 4.6839006 4.8633025 4.9046301 5.0604824
5.4329275 5.8342856 5.8596007 6.2209110 6.3651469
6.4618913 6.9053524 7.0034535 7.2748835 7.3833455
7.5104285 7.8577113 7.9577252 8.1473521 8.3830071
8.5306824 8.7860970 9.1472561 9.2602788 9.6679260
9.9181787 10.1416933 10.2969941 10.4145262 10.6751556
10.8080365 11.0952513 11.4938751 11.6284619 11.7660294
12.3087561 12.5519046 12.6317053 12.8434778 12.9293069
13.1405304 13.5782002 13.8090417 13.9778375 14.3746885
14.4506352 14.7360946 14.8467549 14.9295167 15.2992859
15.3840006 15.8066367 15.8214979 16.1405294 16.2845336
16.5185751 16.9035246 16.9899862 17.3733556 17.6171811
17.7914626 17.8884425 18.2611786 18.5224972 18.8049606
19.1123827 19.3303925 19.6899498 19.8828119 20.1059648
20.2415222 20.4580480 20.5311826 20.9905193 21.3177588
21.4323272 21.5118426 21.8129021 22.0528954 22.1097489
22.4119099 22.7366948 22.8381788 22.9794646 23.1447856
23.3522471 23.4960169 24.0205754 24.0281737 24.3385060
24.5854236 24.8201892 24.9223399 25.0972379 25.1439446
25.4831656 25.6486881 25.8738332 26.0615116 26.3138566
26.4056818 26.5342755 26.7559214 27.0974843 27.3506098
27.5268590 27.8245590 27.8585192 27.9345341 28.3031946
28.4030854 28.4990136 28.6573643 28.8785617 29.1149392
29.3538048 29.4349692 29.5377255 29.6273923 29.6956574
29.9722648 30.2044038 30.2111808 30.3412898 30.5004832
30.6713120 31.0849617 31.2631901 31.3521721 31.5915140
31.7021603 31.8965604 31.9674615 32.0748271 32.3623060
32.4446590 32.6210840 32.8205189 32.9964290 33.1836428
33.3127777 33.3667189 33.7517500 34.0063527 34.1332601
34.4275222 34.5073437 34.6467875 34.8618452 34.9897620
35.0695452 35.3301095 35.4856584 35.7400376 36.0395718
36.2433676 36.4995931 36.5308448 36.8271896 37.0987386
37.4003202 37.4344481 37.5452538 37.7870133 37.8870643
38.0867507 38.1428999 38.2633185 38.3610363 38.5184406
38.5644070 38.7671226 39.1728667 39.3777514 39.4256465
39.6550261 39.8484351 39.9551026 40.0875210 40.2879685
40.4133623 40.5723092 40.9352429 41.1328238 41.1961339
41.3224381 41.4505095 41.7298346 41.8125838 41.9398835
42.0299923 42.1462403 42.4589872 42.6475771 42.8054852
43.0236321 43.0712769 43.4126917 43.4479778 43.5017474
43.6675956 43.7122678 43.8755961 44.0715015 44.3349612
44.4886005 44.5050429 44.6631406 44.8443043 44.9689260
45.3321675 45.6818993 45.7879041 45.8115126 46.0240098
46.1275917 46.5260561 46.6319160 46.7955049 46.8195053
46.8471001 47.0786132 47.1979473 47.3243710 47.3755542
47.6745917 47.7619364 48.0652213 48.0773339 48.1979757
48.3232404 48.4675694 48.5921561 48.7188179 48.9131236
49.0719435 49.1726308 49.4088488 49.6413771 49.6556723
49.7486113 49.8203753 50.2388462 50.4070934 50.6227354
50.6699099 50.8483194 50.9877868 51.1073832 51.2683105
51.3564324 51.4297232 51.6310178 52.0000339 52.0611347
52.2328937 52.4132928 52.6199067 52.8185650 52.8443133
53.2858432 53.4462991 53.7708492 53.8094801 53.9919798
54.2615687 54.3450714 54.3744006 54.5944676 55.0056524
55.0525969 55.1017181 55.2121059 55.3398894 55.7341380
55.8885553 56.0879340 56.3356736 56.4387813 56.7147933
56.9756832 57.1147990 57.5161551 57.6397058 57.6963284
57.7900884 58.0815772 58.1235204 58.2434976 58.3484345
58.6072438 58.8669041 58.8955699 59.0637787 59.2822306
59.6188982 59.9368221 60.2196665 60.4303948 60.6745103
60.9337067 61.1733812 61.2906482 61.5976522 61.7239648
61.7868790 62.0413786 62.3216801 62.4937977 62.6263624
62.7034643 62.8745815 63.2832398 63.3593632 63.5941049
63.8274724 63.8329852 63.8566769 63.9007379 64.0620072
64.1608161 64.3245155 64.4065789 64.5346889 65.0443432
65.0797284 65.2303382 65.3636015 65.5025347 65.7790751
65.9021999 66.0953927 66.1872493 66.3917406 66.5480759
66.7891317 66.9307678 67.0180536 67.1816728 67.3903878
67.5667221 68.0143513 68.0900287 68.2619693 68.6305591
68.8448569 69.0876780 69.2043239 69.4043458 69.5545236
69.8354499 69.9996492 70.1040354 70.3902600 70.8237649
70.8718675 71.0593588 71.2066033 71.3744641 71.5157611
71.7537581 72.0110911 72.1285559 72.4974127 73.0037284
73.2214228 73.3762276 73.4919041 73.7715074 74.1961900
74.2340613 74.4682413 74.7122163 74.8754023 75.1723548
75.2618246 75.6912231 75.8885993 76.1643367 76.4708479
76.5963438 76.7843301 77.0670991 77.4237617 77.6499639
77.9238197 78.1235911 78.4427505 78.6842562 78.7815552
78.8621136 79.3071016 79.5000393 79.5916847 79.6335147
79.7734355 79.8971722 80.3142290 80.5300359 80.6088156
80.8921775 81.1035271 81.5424933 82.0674316 82.2972948
82.3645095 82.5095375 82.9183517 83.2114880 83.3373859
83.4119416 83.6377280 83.8782098 84.2126416 84.3597155
84.6800077 84.8344308 85.1216092 85.2097489 85.5052251
86.1170050 86.1739761 86.4760423 86.8732584 86.9868758
86.9944312 87.4088492 87.7814521 88.0241361 88.2842627
88.3775320 88.5524031 88.8745878 89.1557071 89.4714272
89.8648908 90.1907497 90.3782604 90.6552040 90.8938014
91.0324833 91.4430845 91.5480791 92.0071568 92.3981641
92.5482672 92.7152417 93.0707070 93.3755991 93.4475097
93.7565428 93.9590315 94.1783153 94.5942865 94.6466642
95.3381304 95.8387757 95.9303039 96.1334127 96.2343326
96.9018239 97.0320223 97.1395248 97.3375279 97.8801421
98.3156238 98.5256350 98.7549687 98.9409897 99.3403129
99.5709926 100.0762168 100.6783161 100.9426997 101.0177216
101.3820814 101.8331160 102.2507563 102.6187850 103.1703321
103.4558245 103.7264890 104.0813357 104.2580625 104.6344107
104.7801821 105.5001009 105.8256954 106.0699754 106.4801678
106.5666181 107.1395714 107.3422535 107.7201531 108.2398483
108.8278422 109.2680875 109.3679216 109.5486043 110.1776152
110.4857938 111.0870922 111.3857239 111.8386684 112.2574753
112.9792238 113.2881184 113.6769892 114.1649346 114.8975343
115.1611177 115.5930201 115.8777138 116.3183791 116.5760218
116.8716819 117.4636817 118.1919704 118.7081317 119.0955572
119.4271412 119.9859347 120.8548123 121.5609647 121.9190144
122.4757001 123.1390914 123.8533451 124.1271190 124.9648581
125.3266865 125.6088273 127.1376254 127.5781075 128.8444443
128.9972457 129.4924874 129.9477819 131.4963712 131.7860983
131.9290387 132.8068698 133.8493748 134.5710037 134.7487848
135.8567747 137.0243754 137.9478957 139.1494221 140.0775512
140.9244436 141.2291801 141.4002159 141.7204991 143.3343629
143.7379481 145.2608734 146.2434759 146.8821916 147.4950937
148.2656580 151.7047977 152.6352890 153.8853539 156.4379118
156.8609167 157.9677608 161.0298840 162.2249852 166.6764171
168.9765521 179.9480727
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034120 0.0034295 0.0034335 0.0034411 0.0034445
0.0034534 63.8418116 92.9474022 101.3662936 102.7742893
111.7799028 128.2324183 136.1635540 139.8825103 147.7100915
151.4882359 159.5137775 159.9867561 178.3278049 183.9703540
190.2289153 197.4256551 204.6934195 214.8292471 220.9607541
221.8279340 235.0169117 239.4754090 240.4907674 244.2818716
253.1117086 262.2944623 262.8628985 270.8459053 273.9677830
276.0419620 285.3567845 287.3766009 292.8925341 295.0678389
297.5963758 304.3990643 306.3301533 309.9584803 314.4091643
317.1663949 321.8794699 328.4283954 330.4511833 337.6462565
341.9882970 345.8203272 348.4580577 350.4411032 354.7989994
357.0003831 361.7127787 368.1531463 370.3023066 372.4862492
380.9801625 384.7247222 385.9457585 389.1675324 390.4657117
393.6422705 400.1440690 403.5311372 405.9899412 411.7129246
412.7991069 416.8564063 418.4186647 419.5832624 424.7475289
425.9218541 431.7327716 431.9356794 436.2688125 438.2106648
441.3484147 446.4613983 447.6017678 452.6235382 455.7886324
458.0375750 459.2842422 464.0445567 467.3530151 470.9030400
474.7365798 477.4364992 481.8563482 484.2104769 486.9201416
488.5588281 491.1649610 492.0421001 497.5157939 501.3788991
502.7243782 503.6560854 507.1681893 509.9505786 510.6074945
514.0847417 517.7963043 518.9505954 520.5533346 522.4224856
524.7586657 526.3715441 532.2148442 532.2990136 535.7254010
538.4360485 541.0006960 542.1128330 544.0117049 544.5176809
548.1784623 549.9558914 552.3643836 554.3640783 557.0414752
558.0125578 559.3696474 561.7010505 565.2749849 567.9090465
569.7359312 572.8084624 573.1579151 573.9393430 577.7141556
578.7327247 579.7092029 581.3175069 583.5567000 585.9401046
588.3387880 589.1516163 590.1790724 591.0741876 591.7547496
594.5043825 596.8021984 596.8691473 598.1530200 599.7201486
601.3972769 605.4390769 607.1722659 608.0357260 610.3521802
611.4200966 613.2918688 613.9731172 615.0032942 617.7532093
618.5387140 620.2181544 622.1111736 623.7761292 625.5432041
626.7591796 627.2664099 630.8751603 633.2501591 634.4306638
637.1595017 637.8977133 639.1852827 641.1659719 642.3411934
643.0731056 645.4576788 646.8770066 649.1914369 651.9061696
653.7467644 656.0535525 656.3343560 658.9911299 661.4162364
664.0991750 664.4021022 665.3846876 667.5235063 668.4066438
670.1657705 670.6595823 671.7173976 672.5745744 673.9530276
674.3550422 676.1251085 679.6541259 681.4291954 681.8434805
683.8240965 685.4896714 686.4065282 687.5430247 689.2598236
690.3316296 691.6878445 694.7746535 696.4493588 696.9851269
698.0527613 699.1336680 701.4853604 702.1805300 703.2486225
704.0036901 704.9765964 707.5874078 709.1571103 710.4687699
712.2768277 712.6711101 715.4901135 715.7808318 716.2236072
717.5875909 717.9545455 719.2945922 720.8986359 723.0501935
724.3019466 724.4357805 725.7213660 727.1917212 728.2014478
731.1365964 733.9514899 734.8025631 734.9919726 736.6946349
737.5231735 740.7018005 741.5439746 742.8435370 743.0340063
743.2529416 745.0872142 746.0309338 747.0294197 747.4332811
749.7884937 750.4750241 752.8539848 752.9488393 753.8929458
754.8719789 755.9984425 756.9694719 757.9553997 759.4653757
760.6973612 761.4773717 763.3041923 765.0982182 765.2083732
765.9241465 766.4763831 769.6886966 770.9764420 772.6238048
772.9837180 774.3433661 775.4045783 776.3134358 777.5347058
778.2026470 778.7577359 780.2802660 783.0637026 783.5236235
784.8150513 786.1691591 787.7171797 789.2027303 789.3950701
792.6860246 793.8786073 796.2853540 796.5713426 797.9210207
799.9106018 800.5258533 800.7418398 802.3606061 805.3764761
805.7200762 806.0794518 806.8864759 807.8196699 810.6920697
811.8143466 813.2611042 815.0552065 815.8007380 817.7931283
819.6719081 820.6719821 823.5504396 824.4345009 824.8393452
825.5092801 827.5885641 827.8873286 828.7413410 829.4875736
831.3251684 833.1647328 833.3675671 834.5567889 836.0987003
838.4694684 840.7021087 842.6834283 844.1565526 845.8598680
847.6646635 849.3301147 850.1437916 852.2703109 853.1436994
853.5783858 855.3345206 857.2645334 858.4474972 859.3575042
859.8863364 861.0588485 863.8525763 864.3719839 865.9717207
867.5591681 867.5966327 867.7576229 868.0569464 869.1516342
869.8216636 870.9305848 871.4859622 872.3522606 875.7901305
876.0283199 877.0414019 877.9368277 878.8693790 880.7226421
881.5465221 882.8377064 883.4509592 884.8146559 885.8557974
887.4587567 888.3992508 888.9783527 890.0628755 891.4443934
892.6099123 895.5617996 896.0598927 897.1905421 899.6095324
901.0129460 902.6005183 903.3621608 904.6667170 905.6449511
907.4720299 908.5382415 909.2154132 911.0696195 913.8707663
914.1810588 915.3894916 916.3374051 917.4168459 918.3244826
919.8512576 921.4992283 922.2504989 924.6056310 927.8286968
929.2110424 930.1927929 930.9257213 932.6949151 935.3756984
935.6143861 937.0889761 938.6227798 939.6472881 941.5087438
942.0688671 944.7524827 945.9834722 947.7005060 949.6055259
950.3844027 951.5499263 953.3004241 955.5037905 956.8985785
958.5844877 959.8124508 961.7710201 963.2504094 963.8457911
964.3384570 967.0553223 968.2309296 968.7888437 969.0433873
969.8943471 970.6462582 973.1763079 974.4829087 974.9594439
976.6715641 977.9466226 980.5895787 983.7408393 985.1175592
985.5197646 986.3870381 988.8276699 990.5739993 991.3230787
991.7664111 993.1078017 994.5345081 996.5151959 997.3850027
999.2766160 1000.1873452 1001.8788138 1002.3973803 1004.1338498
1007.7196776 1008.0529531 1009.8181747 1012.1347500 1012.7963950
1012.8403779 1015.2499609 1017.4115431 1018.8169600 1020.3212400
1020.8600649 1021.8695447 1023.7268169 1025.3446143 1027.1584963
1029.4145578 1031.2792478 1032.3507297 1033.9312217 1035.2909411
1036.0804411 1038.4144283 1039.0104087 1041.6122661 1043.8232145
1044.6707288 1045.6126953 1047.6151897 1049.3297379 1049.7337164
1051.4680303 1052.6028607 1053.8304398 1056.1551791 1056.4475400
1060.2995956 1063.0799051 1063.5874163 1064.7127630 1065.2714789
1068.9595114 1069.6774035 1070.2697915 1071.3600215 1074.3420534
1076.7293458 1077.8787289 1079.1324650 1080.1483469 1082.3258771
1083.5817914 1086.3273655 1089.5903591 1091.0200659 1091.4254206
1093.3919745 1095.8214490 1098.0662537 1100.0406003 1102.9928432
1104.5178870 1105.9617808 1107.8519051 1108.7920546 1110.7914969
1111.5649773 1115.3770846 1117.0968977 1118.3854652 1120.5458812
1121.0006695 1124.0101490 1125.0728243 1127.0514999 1129.7669551
1132.8314290 1135.1204587 1135.6388981 1136.5765848 1139.8349363
1141.4279437 1144.5297337 1146.0671019 1148.3949498 1150.5431620
1154.2358882 1155.8126997 1157.7947117 1160.2769010 1163.9937130
1165.3280921 1167.5112808 1168.9481271 1171.1686839 1172.4650230
1173.9508841 1176.9203838 1180.5632688 1183.1383049 1185.0674253
1186.7160018 1189.4890535 1193.7881244 1197.2706859 1199.0326297
1201.7669206 1205.0172185 1208.5069451 1209.8418911 1213.9176623
1215.6738060 1217.0414252 1224.4253942 1226.5446376 1232.6169307
1233.3476169 1235.7128614 1237.8833333 1245.2374240 1246.6084904
1247.2843675 1251.4270858 1256.3291997 1259.7113026 1260.5431272
1265.7150099 1271.1423727 1275.4188173 1280.9612249 1285.2261420
1289.1054507 1290.4984853 1291.2796792 1292.7412794 1300.0810873
1301.9101135 1308.7889085 1313.2080330 1316.0726146 1318.8155748
1322.2560565 1337.5035336 1341.5990957 1347.0816622 1358.2080036
1360.0430474 1364.8329894 1377.9977878 1383.1018171 1401.9494622
1411.5897705 1456.6958404
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404251421432652759.eigenfacs
Openam> file on opening on unit 10:
2404251421432652759.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404251421432652759.atom
Openam> file on opening on unit 11:
2404251421432652759.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 = 188
First residue number = 96
Last residue number = 290
Number of atoms found = 199
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: 9.8726E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9743E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0042E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0061E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0114E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7326
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8714
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.394
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.572
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.850
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.946
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.171
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.697
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.870
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.069
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.553
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.914
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.140
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.173
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.684
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.905
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.433
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.834
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.860
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.365
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.905
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.003
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.275
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.383
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.858
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.147
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.383
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.531
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: 9.147
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.260
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.668
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.918
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 19.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 20.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 20.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 21.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 22.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 22.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 22.41
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 597 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.345600
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.638 for 199 C-alpha atoms.
Bfactors> = 1.639 +/- 3.05
Bfactors> = 21.401 +/- 10.68
Bfactors> Shiftng-fct= 19.762
Bfactors> Scaling-fct= 3.506
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404251421432652759 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=0
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=100
2404251421432652759.eigenfacs
2404251421432652759.atom
making animated gifs
11 models are in 2404251421432652759.7.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 2404251421432652759.7.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 2404251421432652759.7.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 2404251421432652759 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=0
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=100
2404251421432652759.eigenfacs
2404251421432652759.atom
making animated gifs
11 models are in 2404251421432652759.8.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 2404251421432652759.8.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 2404251421432652759.8.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 2404251421432652759 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=0
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=100
2404251421432652759.eigenfacs
2404251421432652759.atom
making animated gifs
11 models are in 2404251421432652759.9.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 2404251421432652759.9.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 2404251421432652759.9.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 2404251421432652759 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=0
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=100
2404251421432652759.eigenfacs
2404251421432652759.atom
making animated gifs
11 models are in 2404251421432652759.10.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 2404251421432652759.10.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 2404251421432652759.10.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 2404251421432652759 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=0
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=100
2404251421432652759.eigenfacs
2404251421432652759.atom
making animated gifs
11 models are in 2404251421432652759.11.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 2404251421432652759.11.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 2404251421432652759.11.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 2404251421432652759 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=0
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=100
2404251421432652759.eigenfacs
2404251421432652759.atom
making animated gifs
11 models are in 2404251421432652759.12.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 2404251421432652759.12.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 2404251421432652759.12.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 2404251421432652759 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=0
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=100
2404251421432652759.eigenfacs
2404251421432652759.atom
making animated gifs
11 models are in 2404251421432652759.13.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 2404251421432652759.13.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 2404251421432652759.13.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 2404251421432652759 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=0
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=100
2404251421432652759.eigenfacs
2404251421432652759.atom
making animated gifs
11 models are in 2404251421432652759.14.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 2404251421432652759.14.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 2404251421432652759.14.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 2404251421432652759 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=0
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=100
2404251421432652759.eigenfacs
2404251421432652759.atom
making animated gifs
11 models are in 2404251421432652759.15.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 2404251421432652759.15.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 2404251421432652759.15.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 2404251421432652759 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=-20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=0
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=20
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=40
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=60
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=80
2404251421432652759.eigenfacs
2404251421432652759.atom
calculating perturbed structure for DQ=100
2404251421432652759.eigenfacs
2404251421432652759.atom
making animated gifs
11 models are in 2404251421432652759.16.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 2404251421432652759.16.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 2404251421432652759.16.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
2404251421432652759.10.pdb
2404251421432652759.11.pdb
2404251421432652759.12.pdb
2404251421432652759.13.pdb
2404251421432652759.14.pdb
2404251421432652759.15.pdb
2404251421432652759.16.pdb
2404251421432652759.7.pdb
2404251421432652759.8.pdb
2404251421432652759.9.pdb
STDERR:
real 0m3.152s
user 0m3.140s
sys 0m0.012s
../../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: 2404251421432652759.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
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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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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