*** ***
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 = 2404250441472458804.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 2404250441472458804.atom to be opened.
Openam> File opened: 2404250441472458804.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 = 180
First residue number = 1
Last residue number = 288
Number of atoms found = 202
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 3.394327 +/- 7.098633 From: -12.383000 To: 20.296000
= 15.367866 +/- 10.215885 From: -5.060000 To: 37.108000
= -12.149861 +/- 9.264581 From: -32.704000 To: 7.847000
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 10.4773 % Filled.
Pdbmat> 19270 non-zero elements.
Pdbmat> 2009 atom-atom interactions.
Pdbmat> Number per atom= 19.89 +/- 6.58
Maximum number = 36
Minimum number = 6
Pdbmat> Matrix trace = 40180.0
Pdbmat> Larger element = 140.622
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 202 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) = 606
Diagstd> Number of non-zero elements 19270
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 40180.0000006
%Diagstd-Wn: Nb on non-zero elements there: 606
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 606 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 40180.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6006537 0.7912038 0.8841897 1.0003989
1.1214962 1.4544336 1.6595728 2.0738399 2.2300792
2.2715531 2.4201545 3.0883492 3.3295362 3.5418074
3.6607309 3.9047500 4.1926971 4.3848463 4.4401611
4.8790200 4.9862245 5.2082907 5.3760236 5.5550647
5.7997151 6.1814039 6.3290253 6.7686191 6.9859437
7.2627302 7.3484776 7.6147054 7.7966354 8.0409659
8.3768795 8.6459002 8.8362677 9.0741118 9.2394644
9.5341502 9.8552629 10.0679115 10.3996057 10.7558604
10.9549129 11.0833905 11.2936531 11.4844126 11.5595012
11.8279280 12.1270874 12.2112592 12.3506409 12.7199061
13.0367809 13.1503580 13.3325797 13.6985693 14.0387916
14.2241250 14.5186364 14.6820767 15.2055794 15.3873428
15.5276411 15.6572930 15.7507398 15.7797892 16.0217577
16.4657548 16.6174472 16.9744307 17.1783059 17.5252264
17.7717446 17.8893040 18.2011333 18.4493948 19.0200735
19.1475328 19.2515782 19.6514789 19.8340374 20.2206445
20.4359331 20.5158794 20.8076037 21.1304900 21.3868283
21.4951959 21.5247682 21.8367727 21.9653368 22.1253770
22.2258265 22.2943729 22.8990643 23.1321115 23.6322197
23.6798488 24.1628660 24.4278962 24.7244631 24.8925639
25.0519256 25.3772669 25.5243470 25.7047904 25.8048513
26.1757695 26.4984265 26.7652227 26.9174584 27.0295297
27.0667907 27.4176155 27.7689680 27.8159242 28.2045830
28.3472301 28.5508010 28.7165119 28.7897745 28.9911942
29.2047391 29.3205461 29.5385418 29.7400605 29.9787632
30.2704989 30.3542485 30.6222912 30.7679428 31.0464538
31.2423604 31.5074748 31.8647543 31.9485042 32.1423228
32.2287291 32.4631282 32.6016538 32.9936494 33.1941498
33.2451512 33.4007099 33.4529837 33.6990057 34.0745641
34.2993421 34.4171949 34.4238436 34.6549729 34.9527882
35.2475141 35.6196446 35.7660878 35.8059252 35.9135681
36.2074205 36.3504392 36.6401899 36.9439436 36.9923894
37.1196453 37.2142480 37.3294368 37.6232986 37.6329940
37.7982378 37.8716422 38.0508250 38.2249691 38.4799880
38.6436270 38.8636958 39.0645666 39.1028909 39.3753620
39.6507765 39.6730211 39.7933057 39.9802023 40.2619130
40.3166653 40.5498411 40.8150501 41.0772303 41.2282883
41.3838077 41.4218464 41.5347791 41.6788130 41.8008529
42.1347138 42.2475685 42.5429270 42.5649671 42.7096117
42.9676453 43.2526606 43.5025328 43.6230023 43.8726257
44.0223711 44.1003259 44.1477411 44.3992698 44.6081347
44.6965721 45.0232420 45.0539394 45.0718566 45.2078427
45.5539300 45.6510132 45.7832460 46.1582259 46.2921008
46.4035296 46.5935332 46.6279670 46.8148950 46.8591784
47.0944093 47.1308173 47.4179715 47.7778361 47.8846575
48.2038006 48.3265297 48.6961245 48.7387893 49.0116900
49.1226962 49.3309001 49.5156759 49.7785764 49.9362750
50.0601040 50.1913458 50.2777844 50.6368135 50.7897590
51.1001008 51.3436950 51.3743471 51.5615771 51.7736555
51.9723407 52.3621463 52.4574281 52.7757648 52.9246741
53.0554650 53.2393360 53.3505063 53.4012087 53.5047999
53.5594846 53.6276652 53.9734118 54.0060444 54.0694310
54.1800072 54.2961063 54.5358728 54.6882142 55.0544287
55.1182895 55.2829482 55.4028446 55.6983524 56.0570830
56.4401588 56.6048866 56.6161715 56.6815421 56.9368216
57.1936702 57.3863067 57.6351218 57.6409292 57.8744456
57.9154954 58.0009459 58.3648636 58.5360897 58.6566423
58.8507905 59.0397819 59.0796724 59.2950701 59.4820477
59.6640097 59.8020994 60.0996375 60.1481579 60.5026866
60.6940790 60.9742675 61.2156475 61.2758269 61.7286508
62.0083890 62.6699923 62.7189675 62.8200227 62.9412639
63.1934280 63.5293017 63.7270749 63.8100383 64.1251740
64.2575874 64.5637776 64.9747742 65.3458752 65.4727628
65.5923258 65.7450284 66.0586798 66.2582030 66.4555695
66.6854144 67.1310416 67.1557635 67.2042073 67.4549102
67.4853419 67.9090861 68.0559351 68.1857319 68.3143202
68.5625226 68.8228205 69.0449518 69.3395853 69.4268202
69.6594466 69.8199193 70.1724430 70.4045226 70.4257783
70.5272562 70.9367046 71.0971166 71.6246283 71.9015434
72.1814662 72.5447418 72.7531656 72.9762970 73.0205193
73.2267205 73.4286592 73.6062864 73.9628469 74.2552662
74.4636187 74.5181716 74.7577831 74.9180816 75.0030267
75.2824473 75.3905862 75.4489450 75.6415554 75.7581124
76.0208603 76.6348217 76.8397849 77.6025906 77.7687311
77.8024368 78.0956335 78.4515151 78.6174197 78.6270486
78.6702893 78.8309856 79.1504632 79.4132826 79.7187467
79.8518367 80.1807741 80.3127451 80.5529794 80.7063449
80.7918361 81.1017981 81.2648671 81.6388387 81.6906077
81.9541479 82.1634561 82.2738318 82.5038208 82.9315207
83.1507383 83.5174640 83.6108277 83.6911082 84.0271098
84.3448796 84.4041281 84.6631711 84.6977414 85.0672358
85.1491458 85.2169921 85.8674874 85.9576516 86.1803175
86.2702108 86.8668763 86.9727901 87.3412087 87.5372310
87.9249389 88.0341568 88.1248017 88.2444047 88.6338142
88.6516686 89.0196961 89.2037298 89.4183489 89.8621396
89.9537173 89.9706671 90.3638679 90.4959345 90.7778831
91.3559697 91.5199421 91.6484534 91.9245851 92.2648420
92.5096832 92.7905786 93.1280732 93.4941763 93.8032469
93.8052659 94.2294934 94.3815615 94.7498688 95.0753960
95.1937268 95.8943049 96.1490342 96.2875496 96.6258006
96.8987478 96.9406200 97.2182195 97.2960252 97.7645578
98.2105306 98.2620296 98.6153569 98.9022401 99.0735540
99.5724221 99.8280559 100.1271102 100.1598558 100.6187597
100.7199840 100.9176613 101.3115695 101.5050823 101.6003088
102.0840635 102.2155615 102.6665601 103.0648962 103.5490032
104.2259852 104.2298917 104.3902942 104.6666001 104.9995757
105.2172075 105.4843525 105.6874952 106.1847078 106.7525248
107.0008068 107.4679870 108.0621512 108.4489659 108.6409748
108.8201353 109.3622392 109.5163115 110.1160788 110.4726305
110.6416436 111.1553143 111.3191931 111.6759681 111.7111007
112.1077260 112.9991604 113.4956547 113.6237726 113.8421471
114.4207730 114.5654329 114.9775004 115.3853221 115.6461284
116.2444917 116.6709201 117.0357454 117.0962602 117.3783398
117.5233425 117.5545151 118.3238333 118.5247388 118.8659515
119.3929996 119.7266059 120.3020184 120.6300220 120.7460988
120.8997654 121.4580804 121.8031562 122.6051550 122.7284000
122.9977074 123.4731532 124.5027403 124.5522565 124.7142945
124.9787719 125.8810412 126.0855817 126.3504192 127.3173564
127.8044702 128.3073834 128.6627259 128.9215679 129.2408835
130.3116971 131.8617614 132.1421836 132.3309700 132.8122689
133.5933735 134.4838472 135.6613070 135.8430668 136.2733340
136.6756729 137.3139063 137.5348900 138.4493974 139.0871760
139.1423792 139.4636022 139.7050379 140.9894778 142.5448934
143.1298199 143.9715703 144.2828641 145.1057502 145.2802494
145.8144014 146.4805198 148.4820289 149.3651208 149.7430480
151.0236601 152.0809017 153.1357975 153.6030961 154.3275159
155.6636323 158.3303485 159.6447314 160.6839973 161.7266689
166.0149927 167.5357073 170.7420864 171.0405299 174.9754702
179.2551109 181.2856004 183.4284324 184.3939951 191.5883469
198.1427108
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034204 0.0034267 0.0034336 0.0034364 0.0034428
0.0034528 84.1603148 96.5916225 102.1099365 108.6130171
114.9990338 130.9610753 139.8921791 156.3806064 162.1643653
163.6653436 168.9339058 190.8351990 198.1468413 204.3655782
207.7682510 214.5813128 222.3525052 227.3905787 228.8203480
239.8620712 242.4829442 247.8237303 251.7826871 255.9409883
261.5162091 269.9845061 273.1893064 282.5174754 287.0171324
292.6477807 294.3702838 299.6552101 303.2137513 307.9281486
314.2942345 319.3010809 322.7971661 327.1126530 330.0795955
335.3021008 340.9018722 344.5600921 350.1899808 356.1376250
359.4179345 361.5193913 364.9324662 368.0015717 369.2026657
373.4647506 378.1582102 379.4683024 381.6278208 387.2908468
392.0852125 393.7894416 396.5083840 401.9137697 406.8741918
409.5510658 413.7692330 416.0916734 423.4447641 425.9681178
427.9056510 429.6883897 430.9687290 431.3659685 434.6606847
440.6422154 442.6672918 447.3968166 450.0755767 454.5975586
457.7836869 459.2953016 463.2810059 466.4298574 473.5887482
475.1729298 476.4621971 481.3853845 483.6162041 488.3068051
490.8994173 491.8586906 495.3433241 499.1718250 502.1904749
503.4611736 503.8073769 507.4456185 508.9372207 510.7879232
511.9461019 512.7349370 519.6418837 522.2794265 527.8949872
528.4266872 533.7888567 536.7083018 539.9564268 541.7888905
543.5203845 547.0382628 548.6212186 550.5570313 551.6275657
555.5779605 558.9916530 561.7986759 563.3941142 564.5657459
564.9547478 568.6042757 572.2359659 572.7195758 576.7068655
578.1633990 580.2356774 581.9171055 582.6589362 584.6935901
586.8430229 588.0053912 590.1872268 592.1970019 594.5688277
597.4548208 598.2807408 600.9164890 602.3438914 605.0639537
606.9699624 609.5398157 612.9860159 613.7910414 615.6500359
616.4769886 618.7147415 620.0334156 623.7498548 625.6422292
626.1226814 627.5858299 628.0767398 630.3820286 633.8849409
635.9722632 637.0639288 637.1254598 639.2607822 642.0017218
644.7027556 648.0970894 649.4279855 649.7895617 650.7655552
653.4224826 654.7117148 657.3159010 660.0349103 660.4675307
661.6025783 662.4451182 663.4695553 666.0758916 666.1617092
667.6226414 668.2705903 669.8496256 671.3806985 673.6165431
675.0473259 676.9667363 678.7139657 679.0468101 681.4085207
683.7874551 683.9792349 685.0153280 686.6220943 689.0369046
689.5052577 691.4962971 693.7539158 695.9785528 697.2570796
698.5709216 698.8919001 699.8439830 701.0563881 702.0820214
704.8801884 705.8235421 708.2864993 708.4699450 709.6726882
711.8132330 714.1701500 716.2300725 717.2210979 719.2702433
720.4966991 721.1343443 721.5219100 723.5744018 725.2743389
725.9929256 728.6410963 728.8894524 729.0343717 730.1333266
732.9227549 733.7033312 734.7651859 737.7680341 738.8371515
739.7258370 741.2387290 741.5125748 742.9974221 743.3487490
745.2122021 745.5002025 747.7678101 750.5999280 751.4385526
753.9384992 754.8976707 757.7788502 758.1107389 760.2302022
761.0906355 762.7018502 764.1289189 766.1547818 767.3674117
768.3182588 769.3247432 769.9869166 772.7312296 773.8973445
776.2581244 778.1061363 778.3383657 779.7553738 781.3573378
782.8551600 785.7854809 786.5000908 788.8829105 789.9950619
790.9706031 792.3400262 793.1668466 793.5436556 794.3129667
794.7187779 795.2244511 797.7838055 798.0249410 798.4931222
799.3091958 800.1651334 801.9299144 803.0491956 805.7334812
806.2006539 807.4039655 808.2790310 810.4317641 813.0374077
815.8106937 817.0003500 817.0817858 817.5533623 819.3923221
821.2384293 822.6202910 824.4017178 824.4432504 826.1115650
826.4044898 827.0139176 829.6043444 830.8203665 831.6754456
833.0506942 834.3872374 834.6690687 836.1892377 837.5065955
838.7866288 839.7567349 841.8431970 842.1829519 844.6613264
845.9962598 847.9467425 849.6234760 850.0409940 853.1760833
855.1070845 859.6567964 859.9926320 860.6851793 861.5153307
863.2393673 865.5303899 866.8765854 867.4406752 869.5800321
870.4773756 872.5488425 875.3216491 877.8177729 878.6696261
879.4715512 880.4946853 882.5924850 883.9243686 885.2398834
886.7694183 889.7274162 889.8912279 890.2121383 891.8710447
892.0722019 894.8685045 895.8355300 896.6893952 897.5345096
899.1635109 900.8687327 902.3213756 904.2445510 904.8131788
906.3277764 907.3711182 909.6589115 911.1619163 911.2994496
911.9557678 914.5991322 915.6326581 919.0231911 920.7980408
922.5886979 924.9073910 926.2350849 927.6543631 927.9353913
929.2446570 930.5250723 931.6498832 933.9036867 935.7480054
937.0598910 937.4030786 938.9089683 939.9150512 940.4477571
942.1979275 942.8743912 943.2392537 944.4424640 945.1698355
946.8074582 950.6230834 951.8934762 956.6066379 957.6300967
957.8375969 959.6406945 961.8247493 962.8412170 962.9001785
963.1649143 964.1481193 966.0998410 967.7024810 969.5618335
970.3708351 972.3674285 973.1673177 974.6217174 975.5490711
976.0656281 977.9361982 978.9188585 981.1687091 981.4797504
983.0616403 984.3161932 984.9771204 986.3528661 988.9061886
990.2123422 992.3935425 992.9480829 993.4246670 995.4168618
997.2972963 997.6475128 999.1772700 999.3812451 1001.5587759
1002.0408533 1002.4399836 1006.2587218 1006.7868886 1008.0900432
1008.6156668 1012.0975710 1012.7143911 1014.8570641 1015.9952620
1018.2427294 1018.8749498 1019.3993602 1020.0908901 1022.3391675
1022.4421322 1024.5622115 1025.6207222 1026.8537739 1029.3988002
1029.9231922 1030.0202210 1032.2685272 1033.0225805 1034.6305687
1037.9196790 1038.8507285 1039.5798441 1041.1447645 1043.0698722
1044.4529408 1046.0374219 1047.9380004 1049.9957959 1051.7298884
1051.7412066 1054.1167354 1054.9669623 1057.0233692 1058.8375923
1059.4963019 1063.3878354 1064.7992668 1065.5659825 1067.4359689
1068.9425447 1069.1734770 1070.7032272 1071.1315943 1073.7075337
1076.1537145 1076.4358308 1078.3694000 1079.9368098 1080.8717133
1083.5895696 1084.9796360 1086.6035542 1086.7812214 1089.2680372
1089.8158110 1090.8847462 1093.0116776 1094.0550472 1094.5681181
1097.1708354 1097.8772599 1100.2966377 1102.4290921 1105.0151733
1108.6214694 1108.6422455 1109.4949787 1110.9623440 1112.7280917
1113.8806661 1115.2938335 1116.3672385 1118.9901624 1121.9780430
1123.2820175 1125.7315486 1128.8392061 1130.8577742 1131.8584231
1132.7913160 1135.6093960 1136.4090522 1139.5165818 1141.3599468
1142.2327014 1144.8811260 1145.7247772 1147.5593166 1147.7398101
1149.7755044 1154.3377234 1156.8709014 1157.5236755 1158.6354689
1161.5762372 1162.3102843 1164.3986995 1166.4619149 1167.7794520
1170.7966513 1172.9421461 1174.7745868 1175.0782631 1176.4927669
1177.2192298 1177.3753460 1181.2216431 1182.2240330 1183.9245215
1186.5463615 1188.2029212 1191.0547823 1192.6773834 1193.2510748
1194.0101245 1196.7639175 1198.4627810 1202.4018772 1203.0060640
1204.3252407 1206.6506463 1211.6710610 1211.9119849 1212.7000552
1213.9852406 1218.3594705 1219.3489074 1220.6288316 1225.2905571
1227.6322886 1230.0452961 1231.7474003 1232.9857847 1234.5117827
1239.6154505 1246.9663000 1248.2915188 1249.1828932 1251.4525231
1255.1271925 1259.3033032 1264.8041405 1265.6511530 1267.6539701
1269.5239274 1272.4846183 1273.5081319 1277.7350704 1280.6746851
1280.9288075 1282.4065260 1283.5160804 1289.4028662 1296.4957936
1299.1531261 1302.9677036 1304.3755741 1308.0898981 1308.8761936
1311.2801591 1314.2718816 1323.2205194 1327.1495908 1328.8275227
1334.4975352 1339.1604657 1343.7969237 1345.8456810 1349.0155730
1354.8426525 1366.3984607 1372.0583324 1376.5170460 1380.9759044
1399.1650092 1405.5586494 1418.9450336 1420.1845932 1436.4280092
1453.8883409 1462.0995211 1470.7152900 1474.5811139 1503.0721408
1528.5664755
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404250441472458804.eigenfacs
Openam> file on opening on unit 10:
2404250441472458804.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404250441472458804.atom
Openam> file on opening on unit 11:
2404250441472458804.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 = 180
First residue number = 1
Last residue number = 288
Number of atoms found = 202
Mean number per residue = 1.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9214E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9576E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9976E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0014E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0051E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0110E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7912
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8842
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.000
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.121
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.454
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.660
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.074
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.230
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.272
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.420
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 3.088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 3.330
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.542
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.661
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.905
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 4.193
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 4.385
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.440
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.879
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.986
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 5.208
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 5.376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.555
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.800
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 6.181
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 6.329
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.769
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.986
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 7.263
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 7.348
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.615
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.797
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 8.041
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 8.377
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 8.646
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.836
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 9.074
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 9.239
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 9.534
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 9.855
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 10.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 10.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 10.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 10.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 11.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 11.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 11.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 11.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 11.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 12.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 12.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 12.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 12.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 13.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 13.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 13.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 13.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 14.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 14.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 14.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 14.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 15.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 15.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 15.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 15.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 16.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 16.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 16.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 17.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 17.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 17.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 18.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 18.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 19.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 19.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 19.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 19.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 19.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 20.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 20.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 20.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 20.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 21.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 21.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 21.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 21.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 21.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 21.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 22.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 22.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 22.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 22.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 23.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 23.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 23.68
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 606 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 : 0.600700
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= 0.537 for 201 C-alpha atoms.
Bfactors> = 1.393 +/- 2.38
Bfactors> = 17.557 +/- 5.14
Bfactors> Shiftng-fct= 16.164
Bfactors> Scaling-fct= 2.164
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404250441472458804 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=0
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=100
2404250441472458804.eigenfacs
2404250441472458804.atom
making animated gifs
11 models are in 2404250441472458804.7.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 2404250441472458804.7.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 2404250441472458804.7.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 2404250441472458804 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=0
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=100
2404250441472458804.eigenfacs
2404250441472458804.atom
making animated gifs
11 models are in 2404250441472458804.8.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 2404250441472458804.8.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 2404250441472458804.8.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 2404250441472458804 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=0
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=100
2404250441472458804.eigenfacs
2404250441472458804.atom
making animated gifs
11 models are in 2404250441472458804.9.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 2404250441472458804.9.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 2404250441472458804.9.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 2404250441472458804 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=0
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=100
2404250441472458804.eigenfacs
2404250441472458804.atom
making animated gifs
11 models are in 2404250441472458804.10.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 2404250441472458804.10.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 2404250441472458804.10.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 2404250441472458804 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=0
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=100
2404250441472458804.eigenfacs
2404250441472458804.atom
making animated gifs
11 models are in 2404250441472458804.11.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 2404250441472458804.11.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 2404250441472458804.11.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 2404250441472458804 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=0
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=100
2404250441472458804.eigenfacs
2404250441472458804.atom
making animated gifs
11 models are in 2404250441472458804.12.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 2404250441472458804.12.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 2404250441472458804.12.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 2404250441472458804 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=0
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=100
2404250441472458804.eigenfacs
2404250441472458804.atom
making animated gifs
11 models are in 2404250441472458804.13.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 2404250441472458804.13.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 2404250441472458804.13.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 2404250441472458804 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=0
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=100
2404250441472458804.eigenfacs
2404250441472458804.atom
making animated gifs
11 models are in 2404250441472458804.14.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 2404250441472458804.14.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 2404250441472458804.14.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 2404250441472458804 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=0
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=100
2404250441472458804.eigenfacs
2404250441472458804.atom
making animated gifs
11 models are in 2404250441472458804.15.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 2404250441472458804.15.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 2404250441472458804.15.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 2404250441472458804 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=-20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=0
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=20
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=40
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=60
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=80
2404250441472458804.eigenfacs
2404250441472458804.atom
calculating perturbed structure for DQ=100
2404250441472458804.eigenfacs
2404250441472458804.atom
making animated gifs
11 models are in 2404250441472458804.16.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 2404250441472458804.16.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 2404250441472458804.16.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
2404250441472458804.10.pdb
2404250441472458804.11.pdb
2404250441472458804.12.pdb
2404250441472458804.13.pdb
2404250441472458804.14.pdb
2404250441472458804.15.pdb
2404250441472458804.16.pdb
2404250441472458804.7.pdb
2404250441472458804.8.pdb
2404250441472458804.9.pdb
STDERR:
real 0m3.296s
user 0m3.288s
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: 2404250441472458804.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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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