*** ***
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 = 240415024700294945.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 240415024700294945.atom to be opened.
Openam> File opened: 240415024700294945.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 = 186
First residue number = 96
Last residue number = 1291
Number of atoms found = 186
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 103.488613 +/- 9.503577 From: 82.027000 To: 123.532000
= -69.320785 +/- 8.248666 From: -89.237000 To: -50.120000
= -263.711215 +/- 9.480888 From: -283.712000 To: -242.915000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> 1 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.8736 % Filled.
Pdbmat> 15399 non-zero elements.
Pdbmat> 1587 atom-atom interactions.
Pdbmat> Number per atom= 17.06 +/- 5.24
Maximum number = 28
Minimum number = 5
Pdbmat> Matrix trace = 31740.0
Pdbmat> Larger element = 107.186
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 186 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) = 558
Diagstd> Number of non-zero elements 15399
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 31740.0000006
%Diagstd-Wn: Nb on non-zero elements there: 558
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 558 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 31740.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3974687 0.7959641 0.8619071 0.9089973
1.0747932 1.4387776 1.5956597 1.9261941 1.9861365
2.0787111 2.3937579 2.4306776 2.8210455 2.8938060
3.1331858 3.2433432 3.5612104 3.7532223 3.9399426
4.2998766 4.5450870 4.8133781 5.0201777 5.0423508
5.5419867 5.7046801 5.7149402 6.2549339 6.4625315
6.6752236 6.7099755 7.1312403 7.2176919 7.5144309
7.6760380 7.7924281 7.9553354 8.1579378 8.3952862
8.6390497 8.9103980 9.2714934 9.3161125 9.5065210
9.6121665 9.9058556 10.1292409 10.3173615 10.3918175
10.5975122 11.0019266 11.2356099 11.3565036 11.5104860
11.8651183 11.9118817 12.4851741 12.9859104 13.0391045
13.1141728 13.3813510 13.6009008 14.0084850 14.1293234
14.3601866 14.4148921 14.5882215 14.7480598 14.8883514
15.1460473 15.3031480 15.4050845 15.6695627 15.8028094
16.3381433 16.5473319 16.8115848 16.9091327 17.0281776
17.3866076 17.7759764 17.8525044 18.1296123 18.2727670
18.4495323 18.6116083 18.7902164 18.9670683 19.2294875
19.6043894 19.6634668 20.0421185 20.2703349 20.3920424
20.5292391 20.7059183 20.9138174 21.4555967 21.5574913
21.9070301 22.0664267 22.2603100 22.4831335 22.6567027
22.8588169 23.0471415 23.1631043 23.3908181 23.8929817
24.0955027 24.2111372 24.3169512 24.6085186 24.7525531
24.9035383 25.0411824 25.3497602 25.4579563 25.6121004
25.7106790 25.7663750 25.9798585 26.3894467 26.4528115
26.6444509 26.8463320 26.9611790 27.1983831 27.5805424
27.7968246 27.9252081 28.0441875 28.3066838 28.4696121
28.6817217 28.7752184 29.0154197 29.1176399 29.3693344
29.5070537 29.5833236 29.7780357 29.9173199 30.1259522
30.3486855 30.3938178 30.4591084 30.7730978 31.0070882
31.0592680 31.1567899 31.3844167 31.4697212 31.5947760
31.7908316 31.8151905 32.0539589 32.3546974 32.4889496
32.5805992 32.8022112 32.9535529 33.1580139 33.4242259
33.5613376 33.7973846 33.8811130 34.1580996 34.2818028
34.3741245 34.5415763 34.7165211 34.9981992 35.1989886
35.4501614 35.6025989 35.6502164 35.9179524 36.0519436
36.2111234 36.3335207 36.4713797 36.6047563 36.9076247
37.1219405 37.3781084 37.5939050 37.8316329 37.8582751
37.9834144 38.3142671 38.4914150 38.7764687 38.9560814
39.0522124 39.2205563 39.4146355 39.7246362 39.8171008
39.9598073 40.2921392 40.4133426 40.7104847 40.8557477
41.0450391 41.2059939 41.4038537 41.5146095 41.5959411
41.7600383 42.0968292 42.1236888 42.2458771 42.2773747
42.4060746 42.6617807 42.8291960 42.9301460 43.0590586
43.2478228 43.4224782 43.4935748 43.5774897 43.7102772
43.8974851 44.1581270 44.2448559 44.3247003 44.5797472
44.6420182 44.6610225 44.8535486 45.0322560 45.1889189
45.3512754 45.5538162 45.7719555 46.1585164 46.2926374
46.3286649 46.4712379 46.6472289 47.0006235 47.2039714
47.3867108 47.5358435 47.5747199 47.6498883 47.8951569
48.0145534 48.1026334 48.3053259 48.3421340 48.4789976
48.6709729 48.7875682 49.2828623 49.3666402 49.5570095
49.7344676 49.8413615 50.1417229 50.3080351 50.5768355
50.6851090 50.7202918 51.0646127 51.1751906 51.4200176
51.6878874 51.8777635 52.0401358 52.1613908 52.2068890
52.5462874 52.8614054 53.0346519 53.1354606 53.2196217
53.4405312 53.7019699 53.9193468 54.1067988 54.2849947
54.4462685 54.6320571 54.7405919 54.9519617 55.0052506
55.1910011 55.5612370 55.8612658 55.8923530 55.9956492
56.1212306 56.2389897 56.6576853 57.0408994 57.1241201
57.5076758 57.6337112 57.7411187 57.9869968 57.9924329
58.3305106 58.4486154 58.7622785 58.9093542 59.1324440
59.2509301 59.4822252 59.5963216 59.7203601 59.9059444
60.0720026 60.2084108 60.2878817 60.5275586 60.7544216
60.8327128 61.1835434 61.3787338 61.6617570 61.9410309
62.0285643 62.2084887 62.2409990 62.4556263 62.5559023
62.7336637 62.8749414 63.1780251 63.2708908 63.4091822
63.9285363 64.0541767 64.2520268 64.5045158 64.7611575
64.9499442 65.0387020 65.2018459 65.3689660 65.6366059
65.8412695 66.4054888 66.4397556 66.6367759 66.9986799
67.1125951 67.2491435 67.3825622 67.7321254 67.8124914
67.8833484 68.0105893 68.3136648 68.3809501 68.6311970
68.9243660 69.0655911 69.4863302 69.5914980 69.6783168
70.0280637 70.0744095 70.2110512 70.5238428 70.7833703
70.9381798 71.1868312 71.3819172 71.5350508 71.7292029
71.9530080 72.1915435 72.5588745 72.9473018 73.0903272
73.6124915 73.7244108 73.7746482 73.9187373 74.3103387
74.5452692 74.7549251 75.1027460 75.4602599 75.5059490
75.9423440 76.0502279 76.3924096 76.5852762 76.7919575
77.0401078 77.4609107 77.6765070 78.0053703 78.2096305
78.6537283 78.8201904 78.8809346 79.0252751 79.1936060
79.3719206 79.8278241 80.2229021 80.5798243 80.6947145
80.9116274 80.9765622 81.1971397 81.5383261 82.0699455
82.1680794 82.5220870 82.7427717 82.9165668 83.3344753
83.4827596 83.8221642 83.9826325 84.1150961 84.3984612
84.6768533 84.7624704 85.2092684 85.2892833 85.4180112
86.0199120 86.2194073 86.6149941 86.7527349 87.0272892
87.5355355 87.7037742 87.8832658 88.0910025 88.6910298
88.7494527 89.1564173 89.4712095 89.7059480 90.0740142
90.3320973 90.9607022 91.0462169 91.1113688 91.3951029
91.9257944 92.2060402 92.6028315 92.6224315 92.9792484
93.1569876 93.9152856 94.0116473 94.0288719 94.6073154
94.8714513 95.0345549 95.2004718 95.7345726 95.8571019
96.3766546 96.4958627 96.7192918 97.5403033 98.0096127
98.2637759 98.4142052 99.0106187 99.1063105 99.4302125
99.9400316 100.1378836 100.7614822 101.1675909 101.6076944
102.1194959 102.4651522 103.0522713 103.2721764 103.6480206
104.0322440 104.7039400 105.1157158 105.7289503 106.0382257
106.4956023 106.9141780 107.2862116 107.6570359 107.8848888
108.5149389 108.9511680 109.2423458 109.8372826 110.0212857
110.5104306 111.2149307 111.3266959 111.8560096 112.1407770
112.2449692 113.5004405 113.8021369 114.1626804 114.4019138
115.2835883 115.7432934 116.9193899 117.1934891 117.8299783
118.2387030 118.4460378 118.8532750 119.5058930 120.4397503
121.2246648 121.6029758 122.7306996 123.2869437 123.4477688
124.8527987 126.2691541 127.9678883 128.3332248 128.8190790
129.0836191 129.6523953 130.3467882 131.0097054 132.8697365
134.4989133 135.1315819 135.3929193 136.4508900 136.6768583
138.0108942 139.0857104 140.0535973 140.7571735 141.6979132
143.9913174 146.1218145 148.5109570 149.5760355 151.4647471
153.0481736 154.6201852 164.7749852
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034178 0.0034239 0.0034292 0.0034333 0.0034378
0.0034431 68.4615505 96.8817583 100.8150823 103.5324723
112.5790908 130.2543145 137.1719825 150.7111242 153.0381906
156.5641579 168.0100995 169.3007790 182.3897055 184.7268332
192.2154769 195.5652714 204.9246000 210.3765971 215.5461293
225.1766098 231.5082019 238.2430668 243.3071249 243.8438498
255.6395366 259.3647352 259.5978700 271.5855400 276.0556344
280.5615749 281.2909424 289.9865229 291.7389737 297.6756616
300.8595745 303.1319285 306.2841539 310.1597761 314.6393485
319.1745584 324.1483620 330.6512173 331.4458926 334.8159100
336.6711655 341.7757747 345.6079556 348.8025128 350.0588294
353.5063691 360.1883411 363.9934819 365.9465028 368.4190780
374.0514270 374.7878181 383.7006911 391.3194920 392.1201530
393.2472829 397.2329467 400.4784174 406.4347802 408.1839872
411.5051949 412.2882694 414.7596072 417.0256096 419.0044013
422.6150268 424.8011366 426.2136188 429.8567175 431.6805002
438.9313797 441.7324141 445.2455706 446.5354536 448.1045625
452.7961308 457.8381861 458.8226556 462.3698834 464.1917719
466.4315944 468.4758760 470.7183959 472.9283881 476.1887540
480.8082821 481.5321899 486.1464215 488.9064224 490.3719763
492.0188101 494.1314869 496.6059706 502.9972129 504.1901884
508.2612882 510.1070036 512.3430913 514.9009578 516.8846480
519.1850219 521.3193127 522.6291896 525.1918601 530.7994395
533.0442658 534.3217772 535.4881222 538.6888862 540.2630688
541.9083069 543.4038317 546.7417113 547.9072516 549.5634969
550.6200905 551.2161602 553.4949600 557.8409891 558.5103151
560.5297502 562.6492683 563.8514736 566.3264211 570.2912149
572.5229150 573.8435299 575.0647022 577.7497645 579.4100914
581.5645013 582.5116223 584.9378287 585.9672796 588.4943974
589.8725733 590.6344336 592.5749700 593.9592128 596.0266406
598.2259154 598.6705681 599.3132419 602.3943482 604.6802346
605.1888084 606.1381695 608.3483173 609.1745178 610.3836904
612.2745736 612.5090987 614.8031987 617.6805862 618.9607575
619.8331710 621.9376386 623.3707244 625.3015928 627.8067191
629.0930840 631.3015087 632.0830063 634.6614660 635.8096370
636.6651870 638.2140439 639.8282031 642.4186344 644.2588197
646.5533832 647.9419982 648.3751562 650.8052768 652.0180547
653.4558943 654.5593365 655.7999462 656.9979889 659.7103964
661.6230322 663.9019431 665.8156518 667.9175018 668.1526442
669.2560115 672.1644535 673.7165543 676.2066047 677.7708904
678.6066350 680.0677102 681.7482589 684.4240230 685.2201055
686.4469396 689.2954996 690.3314614 692.8646702 694.0997078
695.7057885 697.0685312 698.7400927 699.6740373 700.3590703
701.7391788 704.5632279 704.7879632 705.8094132 706.0724814
707.1463707 709.2751919 710.6655136 711.5025537 712.5700187
714.1302084 715.5707557 716.1563259 716.8468556 717.9381983
719.4739936 721.6067756 722.3150650 722.9665167 725.0435293
725.5497394 725.7041580 727.2666692 728.7140322 729.9804954
731.2906701 732.9218391 734.6745809 737.7703556 738.8414336
739.1288819 740.2653149 741.6657176 744.4698082 746.0785420
747.5212837 748.6966372 749.0027295 749.5942106 751.5209299
752.4570696 753.1469238 754.7320422 755.0195364 756.0875654
757.5831277 758.4900116 762.3304057 762.9780881 764.4477837
765.8152618 766.6378000 768.9443439 770.2185218 772.2734541
773.0996432 773.3679181 775.9885293 776.8282574 778.6842500
780.7098728 782.1425313 783.3655903 784.2776907 784.6196631
787.1659478 789.5227213 790.8154432 791.5666807 792.1933123
793.8357686 795.7751782 797.3841364 798.7689977 800.0832530
801.2708446 802.6367800 803.4336639 804.9833184 805.3735345
806.7322455 809.4336097 811.6161244 811.8419278 812.5917755
813.5024649 814.3555026 817.3812937 820.1408851 820.7389457
823.4897319 824.3916291 825.1594491 826.9144646 826.9532238
829.3601599 830.1993593 832.4240014 833.4650844 835.0417599
835.8779451 837.5078451 838.3106971 839.1826359 840.4855281
841.6496269 842.6046708 843.1605774 844.8349242 846.4167040
846.9618958 849.4006579 850.7544764 852.7136750 854.6425176
855.2461834 856.4856789 856.7094506 858.1852860 858.8739424
860.0933821 861.0613128 863.1341568 863.7682867 864.7117418
868.2457392 869.0985131 870.4397110 872.1483026 873.8815722
875.1543817 875.7521516 876.8498375 877.9728537 879.7683583
881.1389074 884.9062638 885.1345508 886.4459670 888.8498496
889.6051664 890.5097094 891.3926332 893.7017992 894.2318427
894.6989099 895.5370319 897.5302037 897.9721047 899.6137132
901.5330866 902.4562290 905.2008814 905.8856350 906.4505268
908.7226217 909.0232761 909.9091197 911.9336989 913.6101142
914.6086417 916.2101756 917.4647440 918.4483225 919.6938509
921.1275193 922.6530974 924.9974789 927.4700554 928.3788401
931.6891522 932.3971461 932.7147695 933.6251665 936.0949464
937.5735003 938.8910208 941.0727292 943.3099788 943.5955093
946.3183886 946.9903208 949.1183822 950.3157380 951.5971868
953.1334720 955.7329949 957.0621129 959.0859565 960.3408376
963.0635300 964.0821017 964.4535235 965.3355242 966.3631029
967.4504367 970.2249219 972.6228416 974.7841035 975.4787769
976.7889738 977.1808511 978.5108500 980.5645225 983.7559063
984.3438864 986.4620488 987.7801912 988.8170268 991.3057675
992.1873341 994.2021892 995.1533796 995.9378848 997.6140214
999.2580042 999.7630534 1002.3945541 1002.8650881 1003.6216196
1007.1514385 1008.3186427 1010.6291495 1011.4324145 1013.0316363
1015.9854229 1016.9612890 1018.0013970 1019.2038521 1022.6690883
1023.0058612 1025.3486981 1027.1572467 1028.5037991 1030.6116305
1032.0870461 1035.6718749 1036.1585923 1036.5292589 1038.1419565
1041.1516125 1042.7374369 1044.9786403 1045.0892227 1047.1003285
1048.1006694 1052.3577946 1052.8975415 1052.9939916 1056.2279116
1057.7013347 1058.6101477 1059.5338366 1062.5018178 1063.1815404
1066.0589090 1066.7180084 1067.9522479 1072.4753795 1075.0523597
1076.4453958 1077.2690305 1080.5283536 1081.0503819 1082.8155007
1085.5879686 1086.6620105 1090.0402982 1092.2347368 1094.6079014
1097.3612274 1099.2168445 1102.3615694 1103.5371169 1105.5433756
1107.5906054 1111.1604948 1113.3433164 1116.5861601 1118.2180709
1120.6270914 1122.8272160 1124.7790933 1126.7212612 1127.9129669
1131.2016903 1133.4731204 1134.9867433 1138.0731310 1139.0260017
1141.5551976 1145.1881043 1145.7633866 1148.4839789 1149.9449777
1150.4790718 1156.8952922 1158.4318480 1160.2654464 1161.4805063
1165.9475740 1168.2699290 1174.1904683 1175.5660153 1178.7539988
1180.7966405 1181.8314665 1183.8613898 1187.1072052 1191.7363973
1195.6134065 1197.4775541 1203.0173343 1205.7404299 1206.5266044
1213.3732640 1220.2362311 1228.4168981 1230.1691569 1232.4955933
1233.7604575 1236.4756057 1239.7823447 1242.9309868 1251.7232447
1259.3738404 1262.3323461 1263.5523984 1268.4795400 1269.5294328
1275.7100154 1280.6679376 1285.1162476 1288.3401724 1292.6382637
1303.0570577 1312.6616839 1323.3494116 1328.0862774 1336.4449133
1343.4124100 1350.2941147 1393.9298584
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240415024700294945.eigenfacs
Openam> file on opening on unit 10:
240415024700294945.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240415024700294945.atom
Openam> file on opening on unit 11:
240415024700294945.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 = 186
First residue number = 96
Last residue number = 1291
Number of atoms found = 186
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: 9.9062E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9414E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9721E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9963E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0022E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0053E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3975
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7960
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8619
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9090
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.075
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.439
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.596
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.926
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.986
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.079
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.394
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.821
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.894
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.133
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.561
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.753
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.940
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.300
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.545
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.813
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 5.020
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.542
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.705
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.715
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.255
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.463
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.675
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.710
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.131
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.218
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.514
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.676
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.792
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.955
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.395
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.639
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.910
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.271
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.316
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.507
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.612
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.906
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.91
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 558 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 : 0.397500
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= 0.555 for 185 C-alpha atoms.
Bfactors> = 1.701 +/- 2.73
Bfactors> = 25.341 +/- 13.27
Bfactors> Shiftng-fct= 23.640
Bfactors> Scaling-fct= 4.865
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240415024700294945 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=0
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=100
240415024700294945.eigenfacs
240415024700294945.atom
making animated gifs
11 models are in 240415024700294945.7.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 240415024700294945.7.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 240415024700294945.7.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 240415024700294945 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=0
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=100
240415024700294945.eigenfacs
240415024700294945.atom
making animated gifs
11 models are in 240415024700294945.8.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 240415024700294945.8.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 240415024700294945.8.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 240415024700294945 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=0
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=100
240415024700294945.eigenfacs
240415024700294945.atom
making animated gifs
11 models are in 240415024700294945.9.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 240415024700294945.9.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 240415024700294945.9.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 240415024700294945 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=0
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=100
240415024700294945.eigenfacs
240415024700294945.atom
making animated gifs
11 models are in 240415024700294945.10.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 240415024700294945.10.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 240415024700294945.10.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 240415024700294945 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=0
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=100
240415024700294945.eigenfacs
240415024700294945.atom
making animated gifs
11 models are in 240415024700294945.11.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 240415024700294945.11.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 240415024700294945.11.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 240415024700294945 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=0
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=100
240415024700294945.eigenfacs
240415024700294945.atom
making animated gifs
11 models are in 240415024700294945.12.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 240415024700294945.12.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 240415024700294945.12.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 240415024700294945 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=0
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=100
240415024700294945.eigenfacs
240415024700294945.atom
making animated gifs
11 models are in 240415024700294945.13.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 240415024700294945.13.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 240415024700294945.13.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 240415024700294945 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=0
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=100
240415024700294945.eigenfacs
240415024700294945.atom
making animated gifs
11 models are in 240415024700294945.14.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 240415024700294945.14.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 240415024700294945.14.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 240415024700294945 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=0
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=100
240415024700294945.eigenfacs
240415024700294945.atom
making animated gifs
11 models are in 240415024700294945.15.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 240415024700294945.15.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 240415024700294945.15.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 240415024700294945 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=-20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=0
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=20
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=40
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=60
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=80
240415024700294945.eigenfacs
240415024700294945.atom
calculating perturbed structure for DQ=100
240415024700294945.eigenfacs
240415024700294945.atom
making animated gifs
11 models are in 240415024700294945.16.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 240415024700294945.16.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 240415024700294945.16.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
240415024700294945.10.pdb
240415024700294945.11.pdb
240415024700294945.12.pdb
240415024700294945.13.pdb
240415024700294945.14.pdb
240415024700294945.15.pdb
240415024700294945.16.pdb
240415024700294945.7.pdb
240415024700294945.8.pdb
240415024700294945.9.pdb
STDERR:
real 0m2.498s
user 0m2.494s
sys 0m0.004s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 240415024700294945.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
|
