*** ***
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 = 2404260237282834393.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 2404260237282834393.atom to be opened.
Openam> File opened: 2404260237282834393.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 = 195
First residue number = 96
Last residue number = 290
Number of atoms found = 199
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 96.964055 +/- 7.502288 From: 80.392000 To: 115.853000
= 82.611920 +/- 9.449372 From: 62.374000 To: 100.077000
= -30.316583 +/- 10.708452 From: -51.741000 To: -9.893000
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 9.4822 % Filled.
Pdbmat> 16926 non-zero elements.
Pdbmat> 1748 atom-atom interactions.
Pdbmat> Number per atom= 17.57 +/- 5.31
Maximum number = 29
Minimum number = 6
Pdbmat> Matrix trace = 34960.0
Pdbmat> Larger element = 117.851
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 16926
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 34960.0000006
%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 = 34960.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5530081 0.6547928 0.8478829 0.9340803
1.0684578 1.3821956 1.4311395 1.6130080 1.7720704
2.0959066 2.2484545 2.5767892 2.6916963 3.0634494
3.1102123 3.3556949 3.7091822 3.8795319 4.1893394
4.2890469 4.4908683 4.6254305 4.9595771 5.3615949
5.5672056 5.6743010 5.8651331 6.2397769 6.5136447
6.7399236 6.8613245 7.1504557 7.2396553 7.4836179
7.6983232 7.8402327 7.9364334 8.3773031 8.6204736
8.8802447 9.0220807 9.2120639 9.5543991 9.7178034
9.8834658 10.1137870 10.6239289 10.6564416 10.8942000
10.9905731 11.2235309 11.3913214 11.8684531 11.9205227
12.1376149 12.2686203 12.6060528 12.8654417 13.3728954
13.4583077 13.5068154 13.7397152 13.9458847 14.0165555
14.5726414 14.7518217 14.8588882 15.0838006 15.4056044
15.7005833 15.7726621 16.3575516 16.5030557 16.5920872
16.7301889 16.8069297 17.1509548 17.3691920 17.5100497
17.8768752 17.9098238 18.1176004 18.3439436 18.5807068
18.9941290 19.0443532 19.1004947 19.1391908 19.3904130
19.5647154 19.9347640 20.1013320 20.1658107 20.4846908
20.5556128 20.8466796 21.0305853 21.4334191 21.5779967
21.6602668 21.8268334 22.2641505 22.4198662 22.7616143
22.7918043 23.0622246 23.2470390 23.3221604 23.5458434
23.7003827 23.7750637 23.8391853 24.0595688 24.5015637
24.5845208 24.7473893 24.9564642 25.0517469 25.4770939
25.6056763 25.8718962 26.0451606 26.1550965 26.3051122
26.4967973 26.6404697 26.7905859 26.9568602 27.0994989
27.4382937 27.4697516 27.4923967 27.7919654 28.0788737
28.1240403 28.2023118 28.4194577 28.5685077 28.7621360
28.9727648 29.0963973 29.4396440 29.5232383 29.5895571
29.7005647 30.0571737 30.1194093 30.2711849 30.5175561
30.6733391 30.7116084 31.0839637 31.2100117 31.4916857
31.5407137 31.6409092 32.0244425 32.1041692 32.2285767
32.4269246 32.5525312 32.7592386 33.0063785 33.0621795
33.3104092 33.3776349 33.6407809 33.9942518 34.1230042
34.4758416 34.5097906 34.6335279 34.9777774 35.0124987
35.1387025 35.2621607 35.4319812 35.5645561 35.7501536
35.9331594 36.0401380 36.1052204 36.3689525 36.4366621
36.6441636 36.6973853 36.8475765 37.1141294 37.2090502
37.3460645 37.4226642 37.6193130 37.7727496 38.0251701
38.1759216 38.2940421 38.6291661 38.7349073 38.7965530
38.8778331 39.0280402 39.1396767 39.3646339 39.6488689
39.8296003 39.8994811 40.2229847 40.4546557 40.6199956
40.6316457 40.7463288 40.8609757 41.2330362 41.2787895
41.3453405 41.4373925 41.5235606 41.6319814 41.7487442
41.8755539 42.1418074 42.3922432 42.5983874 42.8271585
42.9411097 43.0587137 43.2114523 43.3830722 43.4875598
43.5874614 43.6606414 43.8126982 43.8726305 44.0461902
44.3853346 44.6324590 44.8021156 44.9470759 44.9928296
45.0103078 45.2391256 45.4161220 45.4787461 45.5978300
45.7617972 45.9763061 46.0002574 46.2094312 46.4586279
46.5197157 47.0008603 47.1670295 47.3325161 47.5078473
47.5382302 47.8714711 48.0616580 48.1185020 48.2114281
48.3008396 48.3703735 48.5420810 48.7618835 48.9018256
49.1600585 49.1955787 49.3207176 49.6775168 49.7060031
49.7488101 49.7916651 50.0392602 50.1581047 50.3862032
50.4509946 50.5894144 50.8194915 50.9102610 50.9518609
51.1310058 51.2091253 51.6044772 51.7972695 51.8680936
52.0176849 52.2442430 52.4232649 52.5265659 52.7112816
52.9816879 53.1408549 53.2101180 53.4320602 53.4791348
53.9012307 54.0747202 54.2603614 54.3921540 54.6149163
54.8458760 54.8734791 55.1019974 55.3689950 55.7512286
55.9413900 56.0228574 56.0951469 56.4145420 56.7198105
56.8229167 56.9495771 57.0466316 57.1028692 57.2652867
57.7079181 57.8145453 58.1412052 58.2324085 58.4858445
58.6685710 58.8697335 58.9632371 59.1133193 59.3307490
59.4049583 59.5872510 59.7134912 60.0131197 60.2859131
60.5348906 60.6933039 60.8745772 61.0034715 61.1154106
61.1603062 61.2858382 61.5050510 61.8997779 62.1289647
62.3251259 62.3477287 62.7852838 63.0461795 63.2193685
63.5393219 63.6264592 63.7750725 63.9523028 64.1461600
64.3950003 64.7003317 64.7851844 64.9431153 65.0833177
65.3001722 65.4772950 65.7841411 65.8609180 66.2129617
66.3302090 66.3903512 66.5665403 66.7824629 67.0764720
67.2103544 67.4675320 67.7761706 68.0990361 68.2038261
68.3549616 68.5067588 68.7054098 68.8400491 68.9555898
69.2535246 69.5061442 69.8713258 70.0213198 70.2741696
70.3413451 70.4563357 70.4855618 70.5616554 70.9465325
70.9949837 71.4558042 71.6578050 71.8322825 71.9073212
72.1897799 72.4791696 72.6192836 72.8194707 72.9531463
73.2317604 73.7142763 73.9662137 74.1677951 74.2526695
74.4337183 74.7362858 74.8947761 75.2414874 75.3538012
75.4384143 75.5227041 75.6794672 75.8073410 76.2131670
76.3526510 76.4200711 76.5579222 76.7577718 76.9677638
77.2068952 77.5864298 77.9069963 77.9143193 78.2785206
78.4509928 78.9833446 79.1817814 79.3242479 79.5518980
79.5936470 79.8468685 80.1199574 80.3604126 80.4054433
80.8111814 80.9396550 81.2269449 81.6988139 81.8769815
82.1159923 82.2871293 82.6216114 82.7593236 83.0711528
83.2610388 83.4579389 83.6606888 83.9693956 84.2384875
84.4282940 84.6050113 84.7202735 85.0496988 85.1670918
85.3106281 85.8790026 86.1019011 86.2189283 86.4252388
86.6365787 86.9228560 87.0956185 87.2874625 87.7691651
87.9805011 88.1154036 88.5472856 88.8450675 88.9509845
89.1148551 89.3364363 90.1422762 90.1615077 90.2463253
90.4205764 90.6901171 91.2122566 91.3842268 91.5708490
91.8604323 92.3861193 92.4460161 92.7955898 92.9065738
93.5241656 93.6670467 93.8406963 94.2560420 94.2713056
94.5324572 94.9634047 95.6584747 96.0599946 96.2006990
96.4440386 96.9027526 97.0509914 97.2390578 97.5235785
97.6937177 98.3542811 98.6389049 99.0831514 99.5635066
99.9375247 100.2578327 100.4209156 100.8032282 100.9169076
101.0606533 101.6438765 101.8245760 102.3132739 102.6266801
102.8696442 102.9862283 103.4657675 103.8027445 104.0404493
104.7985090 105.2273695 105.9429943 106.1462617 106.3263994
106.3372404 107.0402300 107.6600648 108.1063847 108.3666677
108.7029964 109.2597993 109.6419643 110.2531632 110.3934715
110.5943043 110.9210200 111.1278380 112.2335953 112.3997714
113.3344540 113.5718299 113.8963528 113.9818345 114.0749088
114.6614283 115.0802774 115.5763711 116.4594483 117.0567354
117.4145614 117.4649210 118.0082316 118.8536857 119.2679619
119.8651105 120.5409054 120.8511447 121.1833663 121.5985875
122.5675417 123.2656902 123.6445567 124.1890390 125.3942005
125.6081212 125.9778098 126.1330506 126.4180893 127.4454536
128.6905514 128.8096442 129.3616585 130.6339560 131.9445856
132.1727766 133.7559876 134.2971453 134.8394268 135.4625955
136.0824441 138.0767357 138.5965388 139.1760727 140.4029179
141.2020677 142.1079836 143.4781516 146.7761496 148.5046577
149.0683484 152.4773149 155.4153967 156.4387087 160.5326233
164.7980649 165.8572923
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034233 0.0034289 0.0034314 0.0034366 0.0034425
0.0034489 80.7534361 87.8713369 99.9915329 104.9511962
112.2467981 127.6674053 129.9081083 137.9156459 144.5558811
157.2103875 162.8310905 174.3149858 178.1592236 190.0643361
191.5094886 198.9236925 209.1386807 213.8872722 222.2634524
224.8928664 230.1232190 233.5454239 241.8341369 251.4445801
256.2205223 258.6732165 262.9869613 271.2562868 277.1451693
281.9179742 284.4456257 290.3769504 292.1825156 297.0647243
301.2959891 304.0603255 305.9200687 314.3021804 318.8312226
323.5994289 326.1734697 329.5897904 335.6579745 338.5161048
341.3893061 345.3442113 353.9466916 354.4878753 358.4205912
360.0024440 363.7977715 366.5070497 374.1039892 374.9237300
378.3223140 380.3585156 385.5536700 389.5001518 397.1074213
398.3735605 399.0908427 402.5169245 405.5256365 406.5518393
414.5380678 417.0787921 418.5896033 421.7457075 426.2208104
430.2819951 431.2685412 439.1920090 441.1410408 442.3293839
444.1663999 445.1839228 449.7171316 452.5692985 454.4006765
459.1357234 459.5586420 462.2166848 465.0949604 468.0868014
473.2656369 473.8909277 474.5889126 475.0694092 478.1771400
480.3215225 484.8426643 486.8640394 487.6442672 491.4846821
492.3347550 495.8082236 497.9903874 502.7371836 504.4299237
505.3906247 507.3301198 512.3872858 514.1759850 518.0799799
518.4234454 521.4898732 523.5752418 524.4205103 526.9293697
528.6557494 529.4880032 530.2015400 532.6466499 537.5169722
538.4261620 540.2067109 542.4838431 543.5184465 548.1131530
549.4945703 552.3437073 554.1901469 555.3585259 556.9489113
558.9744685 560.4878718 562.0647974 563.8063123 565.2959970
568.8186544 569.1446354 569.3791778 572.4728709 575.4202246
575.8828381 576.6836458 578.8994986 580.4155752 582.3791896
584.5077189 585.7534962 589.1983978 590.0343232 590.6966562
591.8036425 595.3458780 595.9619123 597.4615908 599.8879746
601.4171498 601.7922096 605.4293580 606.6556491 609.3870688
609.8612483 610.8291548 614.5200674 615.2845333 616.4755306
618.3696428 619.5661217 621.5301201 623.8701666 624.3973047
626.7368988 627.3690069 629.8372099 633.1374809 634.3353442
637.6064751 637.9203294 639.0629601 642.2311781 642.5498599
643.7068647 644.8366904 646.3875735 647.5957299 649.2833053
650.9430321 651.9112907 652.4996457 654.8784154 655.4877393
657.3515437 657.8287361 659.1735077 661.5534204 662.3988537
663.6173037 664.2975211 666.0406104 667.3975071 669.6237723
670.9498270 671.9870221 674.9210081 675.8441220 676.3817028
677.0898535 678.3965833 679.3661397 681.3156875 683.7710056
685.3276505 685.9285888 688.7037172 690.6842217 692.0942109
692.1934523 693.1696241 694.1441161 697.2972268 697.6839890
698.2461775 699.0230387 699.7494625 700.6624133 701.6442790
702.7090755 704.9395209 707.0310377 708.7480215 710.6486099
711.5934007 712.5671648 713.8298618 715.2459906 716.1068032
716.9288683 717.5304502 718.7788349 719.2702832 720.6915914
723.4608421 725.4720543 726.8495762 728.0245120 728.3949626
728.5364277 730.3859016 731.8133102 732.3176833 733.2758263
734.5930517 736.3127453 736.5045112 738.1771399 740.1648724
740.6513286 744.4716835 745.7865442 747.0937032 748.4761325
748.7154327 751.3350807 752.8260777 753.2711419 753.9981470
754.6969942 755.2400300 756.5793361 758.2903282 759.3776597
761.3800197 761.6550343 762.6231308 765.3766698 765.5960810
765.9256770 766.2555009 768.1582872 769.0699445 770.8166678
771.3121037 772.3694833 774.1238325 774.8148608 775.1313558
776.4928266 777.0857754 780.0796910 781.5355065 782.0696333
783.1965938 784.9003100 786.2439431 787.0182159 788.4008214
790.4204634 791.6068595 792.1225763 793.7728496 794.1224365
797.2501711 798.5321767 799.9017028 800.8725515 802.5108570
804.2059258 804.4082728 806.0814950 808.0320754 810.8163571
812.1979839 812.7891703 813.3133950 815.6255346 817.8292999
818.5722947 819.4841006 820.1820932 820.5862688 821.7524352
824.9221851 825.6839398 828.0132668 828.6624442 830.4637167
831.7600082 833.1847554 833.8461724 834.9067141 836.4407748
836.9637104 838.2468986 839.1343746 841.2370310 843.1468110
844.8860923 845.9908580 847.2532810 848.1497830 848.9275881
849.2393430 850.1104319 851.6294507 854.3578729 855.9380613
857.2882324 857.4436704 860.4471712 862.2330532 863.4165258
865.5986451 866.1919795 867.2029783 868.4071165 869.7223122
871.4076237 873.4710868 874.0436662 875.1083727 876.0524773
877.5107462 878.7000376 880.7565562 881.2703731 883.6225434
884.4045398 884.8053978 885.9786841 887.4144496 889.3657211
890.2528509 891.9544817 893.9923326 896.1191591 896.8083627
897.8014490 898.7977787 900.0999704 900.9814839 901.7372680
903.6832254 905.3299311 907.7050933 908.6788643 910.3180238
910.7530087 911.4971322 911.6861622 912.1781407 914.6624862
914.9747560 917.9394526 919.2360133 920.3544435 920.8350367
922.6418271 924.4892910 925.3824532 926.6570608 927.5072088
929.2766339 932.3330578 933.9249424 935.1966974 935.7316436
936.8717371 938.7739627 939.7688458 941.9415756 942.6443368
943.1734258 943.7001980 944.6791134 945.4768775 948.0042506
948.8713647 949.2902034 950.1460106 951.3853504 952.6858498
954.1646535 956.5070253 958.4810050 958.5260507 960.7636973
961.8215477 965.0793885 966.2909552 967.1598555 968.5466720
968.8007861 970.3406480 971.9985904 973.4560738 973.7287783
976.1824784 976.9581377 978.6904255 981.5290457 982.5987152
984.0318442 985.0567157 987.0567225 987.8789843 989.7383509
990.8688890 992.0398267 993.2441095 995.0749512 996.6681052
997.7903217 998.8340163 999.5141685 1001.4555324 1002.1464422
1002.9905702 1006.3261919 1007.6313027 1008.3158417 1009.5215038
1010.7550670 1012.4236321 1013.4292478 1014.5447654 1017.3403357
1018.5644065 1019.3450015 1021.8400172 1023.5567840 1024.1667210
1025.1096759 1026.3833362 1031.0020776 1031.1120521 1031.5969364
1032.5923802 1034.1302963 1037.1029760 1038.0801848 1039.1396128
1040.7814012 1043.7551773 1044.0934721 1046.0656672 1046.6910307
1050.1641812 1050.9660665 1051.9398100 1054.2652207 1054.3505799
1055.8099576 1058.2137951 1062.0794504 1064.3061193 1065.0853081
1066.4315240 1068.9646342 1069.7819558 1070.8179713 1072.3834298
1073.3184596 1076.9410082 1078.4981422 1080.9240652 1083.5410577
1085.5743530 1087.3126387 1088.1966099 1090.2660795 1090.8806722
1091.6573193 1094.8027769 1095.7754987 1098.4018890 1100.0829160
1101.3843452 1102.0082777 1104.5709625 1106.3682352 1107.6342841
1111.6621839 1113.9344549 1117.7158303 1118.7875688 1119.7364971
1119.7935792 1123.4889286 1126.7371107 1129.0702184 1130.4286081
1132.1814578 1135.0774074 1137.0607911 1140.2256579 1140.9509534
1141.9883164 1143.6738934 1144.7396162 1150.4207806 1151.2721375
1156.0490434 1157.2590667 1158.9112772 1159.3460899 1159.8193375
1162.7971372 1164.9190043 1167.4271989 1171.8786563 1174.8799279
1176.6742789 1176.9265925 1179.6452721 1183.8634354 1185.9248769
1188.8900033 1192.2367508 1193.7700103 1195.4097299 1197.4559476
1202.2174245 1205.6364963 1207.4878825 1210.1436144 1216.0012060
1217.0380040 1218.8276755 1219.5784169 1220.9556566 1225.9067999
1231.8805865 1232.4504582 1235.0884707 1241.1472793 1247.3578570
1248.4360101 1255.8908502 1258.4288638 1260.9670235 1263.8774828
1266.7658023 1276.0142836 1278.4138666 1281.0838875 1286.7179129
1290.3746082 1294.5073445 1300.7330248 1315.5974579 1323.3213456
1325.8304836 1340.9046538 1353.7619427 1358.2114632 1375.8685123
1394.0274775 1398.5003060
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404260237282834393.eigenfacs
Openam> file on opening on unit 10:
2404260237282834393.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404260237282834393.atom
Openam> file on opening on unit 11:
2404260237282834393.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 = 195
First residue number = 96
Last residue number = 290
Number of atoms found = 199
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9377E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9704E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9853E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0016E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0050E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0087E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5530
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6548
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8479
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.382
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.772
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.096
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.248
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.577
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.063
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.110
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.356
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.880
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.189
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.289
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.491
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.625
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.960
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.567
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.674
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.240
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.514
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.740
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.861
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.150
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.240
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.484
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.698
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.840
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.936
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.377
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.880
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 9.022
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.212
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.554
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.883
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.15
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: 17.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.66
%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 : 0.553000
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= 0.694 for 199 C-alpha atoms.
Bfactors> = 1.558 +/- 2.41
Bfactors> = 19.745 +/- 8.32
Bfactors> Shiftng-fct= 18.187
Bfactors> Scaling-fct= 3.457
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404260237282834393 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=0
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=100
2404260237282834393.eigenfacs
2404260237282834393.atom
making animated gifs
11 models are in 2404260237282834393.7.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 2404260237282834393.7.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 2404260237282834393.7.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 2404260237282834393 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=0
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=100
2404260237282834393.eigenfacs
2404260237282834393.atom
making animated gifs
11 models are in 2404260237282834393.8.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 2404260237282834393.8.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 2404260237282834393.8.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 2404260237282834393 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=0
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=100
2404260237282834393.eigenfacs
2404260237282834393.atom
making animated gifs
11 models are in 2404260237282834393.9.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 2404260237282834393.9.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 2404260237282834393.9.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 2404260237282834393 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=0
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=100
2404260237282834393.eigenfacs
2404260237282834393.atom
making animated gifs
11 models are in 2404260237282834393.10.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 2404260237282834393.10.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 2404260237282834393.10.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 2404260237282834393 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=0
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=100
2404260237282834393.eigenfacs
2404260237282834393.atom
making animated gifs
11 models are in 2404260237282834393.11.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 2404260237282834393.11.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 2404260237282834393.11.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 2404260237282834393 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=0
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=100
2404260237282834393.eigenfacs
2404260237282834393.atom
making animated gifs
11 models are in 2404260237282834393.12.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 2404260237282834393.12.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 2404260237282834393.12.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 2404260237282834393 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=0
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=100
2404260237282834393.eigenfacs
2404260237282834393.atom
making animated gifs
11 models are in 2404260237282834393.13.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 2404260237282834393.13.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 2404260237282834393.13.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 2404260237282834393 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=0
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=100
2404260237282834393.eigenfacs
2404260237282834393.atom
making animated gifs
11 models are in 2404260237282834393.14.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 2404260237282834393.14.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 2404260237282834393.14.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 2404260237282834393 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=0
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=100
2404260237282834393.eigenfacs
2404260237282834393.atom
making animated gifs
11 models are in 2404260237282834393.15.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 2404260237282834393.15.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 2404260237282834393.15.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 2404260237282834393 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=-20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=0
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=20
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=40
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=60
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=80
2404260237282834393.eigenfacs
2404260237282834393.atom
calculating perturbed structure for DQ=100
2404260237282834393.eigenfacs
2404260237282834393.atom
making animated gifs
11 models are in 2404260237282834393.16.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 2404260237282834393.16.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 2404260237282834393.16.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
2404260237282834393.10.pdb
2404260237282834393.11.pdb
2404260237282834393.12.pdb
2404260237282834393.13.pdb
2404260237282834393.14.pdb
2404260237282834393.15.pdb
2404260237282834393.16.pdb
2404260237282834393.7.pdb
2404260237282834393.8.pdb
2404260237282834393.9.pdb
STDERR:
real 0m3.026s
user 0m3.018s
sys 0m0.008s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404260237282834393.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
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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