*** ***
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 = 24041412150577045.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 24041412150577045.atom to be opened.
Openam> File opened: 24041412150577045.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 = 194
First residue number = 96
Last residue number = 289
Number of atoms found = 197
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.608198 +/- 9.187907 From: -18.534000 To: 21.554000
= 0.227853 +/- 7.582606 From: -19.065000 To: 16.353000
= 31.344289 +/- 10.750922 From: 11.962000 To: 53.464000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.5784 % Filled.
Pdbmat> 16756 non-zero elements.
Pdbmat> 1731 atom-atom interactions.
Pdbmat> Number per atom= 17.57 +/- 5.48
Maximum number = 32
Minimum number = 6
Pdbmat> Matrix trace = 34620.0
Pdbmat> Larger element = 117.660
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 197 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) = 591
Diagstd> Number of non-zero elements 16756
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 34620.0000006
%Diagstd-Wn: Nb on non-zero elements there: 591
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 591 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 34620.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5124825 0.6058465 0.8883043 0.9603701
1.0751129 1.4800384 1.5572550 1.8724055 1.9533267
2.2708003 2.4463060 2.5199158 2.6053449 2.8616058
3.0704521 3.2930187 3.6205931 3.9806331 4.0343563
4.1804294 4.4495346 4.5775811 5.0223827 5.1363606
5.3628106 5.4524897 5.8096692 6.0083238 6.0890251
6.5743404 6.7264966 6.8875409 7.0302199 7.3149170
7.5284326 7.7907621 7.9562885 8.0234528 8.4069753
8.5111563 8.6351325 9.3186725 9.4184131 9.5651814
9.7484468 10.0109476 10.0713067 10.2328047 10.5233952
10.8291886 10.8619311 11.3156751 11.3705281 11.4478453
11.7916288 12.0653710 12.3580932 12.5197099 12.9987410
13.1393952 13.5387073 13.9048851 14.0628724 14.2579322
14.6180441 14.7708072 14.8245912 14.9208822 15.4465911
15.7168034 15.8863873 16.1850691 16.3628011 16.4893109
16.8006673 17.0262047 17.1230721 17.2600641 17.5673373
17.6792085 17.8652653 18.0287465 18.1783955 18.6558419
18.9763414 18.9961254 19.3057758 19.3797627 19.5651015
19.8777049 19.9822869 20.0584847 20.2901543 20.5446087
20.8378283 20.9374809 21.0736712 21.3304977 21.6073790
21.7085772 21.8910919 22.0286901 22.5494461 22.8475525
23.1998502 23.3203018 23.4374000 23.5839361 23.7218863
23.9679813 24.0784159 24.1905613 24.3749971 24.7626911
24.9436485 24.9594087 25.2939886 25.5165849 25.6588406
25.7384268 25.8769359 26.1461699 26.2190583 26.3655149
26.6556242 26.7170933 26.8084070 26.9032119 27.2064991
27.4625153 27.6682655 27.7267596 28.0050003 28.1109181
28.3311328 28.5757527 28.5914042 28.8675487 29.0704337
29.2459359 29.4804333 29.6140356 29.6697852 29.9772665
30.0301321 30.2056275 30.3424568 30.5104799 30.7342973
30.7774280 30.9758209 31.1503045 31.2663744 31.4367862
31.6092287 31.6980744 32.0864608 32.2831681 32.4073545
32.5405053 32.8723454 32.9226604 33.2146634 33.3031746
33.3327150 33.5359943 33.8157097 33.9156293 34.0474530
34.0758124 34.6985925 34.7495374 34.8590439 34.8921671
34.9537180 35.2484135 35.3651513 35.5507193 35.7583744
35.9330792 36.1619887 36.4171396 36.5108538 36.5819121
36.7410281 37.0144435 37.2930815 37.3025093 37.4569130
37.6814383 37.7574305 37.8532230 38.1240167 38.3354935
38.3904285 38.5721206 38.7662839 38.8402933 39.0724532
39.2886415 39.3821086 39.5101711 39.6149946 39.8046104
39.9808433 40.0688316 40.3315239 40.3914639 40.5802612
40.7401302 40.8802397 40.9697975 41.1187498 41.2327694
41.3467547 41.5471486 41.6056378 41.8106280 42.0414884
42.1914283 42.3296475 42.4665994 42.6475393 42.7388997
42.9653398 43.2196917 43.3721029 43.6545633 43.6841303
43.7914698 44.0185324 44.2118285 44.3120601 44.3951013
44.7506056 44.9769709 45.0696613 45.2028679 45.4110303
45.5850866 45.6282806 45.7447427 46.0628711 46.1932127
46.2576583 46.4820773 46.7403870 46.8373457 47.0707625
47.2203946 47.3614102 47.5547197 47.6791025 47.9571742
48.1053543 48.2010778 48.3323583 48.5435781 48.7759608
49.0178778 49.0447290 49.2856751 49.3099161 49.4564089
49.6165962 49.6797745 49.7123696 49.9874993 50.2133302
50.3578314 50.4211238 50.5028262 50.8433357 50.8604481
51.1998558 51.2743292 51.4177999 51.5828946 51.7907925
51.9960715 52.2237488 52.3606127 52.4772765 52.6352396
52.7483158 52.9670316 53.0539835 53.1947666 53.3084073
53.5173170 53.6683705 53.8445530 53.8766733 54.0774532
54.3012924 54.5993911 54.6721592 54.9276803 54.9600604
55.3543668 55.3775209 55.5336542 55.7195459 56.0936391
56.2328348 56.3838638 56.3922147 56.4444536 56.7251547
56.8692696 57.1888021 57.2891097 57.6457776 57.7147010
57.8088948 58.1766420 58.5176280 58.7736135 58.9137470
59.1218111 59.4358940 59.5496370 59.6878156 59.9165641
60.1500271 60.2857491 60.5556848 60.6956980 60.8255099
61.1366633 61.1626142 61.5712854 61.7370180 61.7667998
62.1170017 62.2014865 62.5433067 62.6805075 62.7545663
62.9797050 63.2673251 63.5016426 63.6923385 63.7565674
63.9851872 64.2382415 64.3995046 64.4601164 64.7801741
64.9381632 65.1524139 65.4837768 65.5607339 65.7999469
65.8728539 66.2732721 66.3908643 66.5918987 66.7410100
66.9511493 67.3383315 67.4993280 67.7217235 67.9716679
68.3242485 68.3549538 68.4689708 68.9652887 69.0507265
69.2275623 69.3259378 69.4753667 69.7378368 69.8427885
70.0898691 70.2034465 70.4070588 70.7221337 70.8552472
71.0027995 71.2014449 71.3228431 71.8024498 71.9349143
72.2934247 72.3705725 72.5848863 72.5898768 72.8250819
72.8686684 73.0650700 73.2791758 73.5456024 73.7309829
73.8655026 74.0541517 74.3648422 74.4913965 74.5840701
74.7846112 74.9237986 75.0705671 75.2773461 75.6106545
75.8436359 76.0619526 76.6393377 76.9974636 77.1383509
77.2231622 77.4395738 77.6425282 77.7582191 77.9019235
78.2386712 78.4105103 78.6342865 79.0749571 79.1969394
79.3353518 79.5799392 79.7658379 79.9596730 80.2496389
80.3788710 80.7967998 80.8825799 81.2704100 81.3576365
81.7991015 82.0056420 82.2136079 82.5764348 82.9896089
83.1604294 83.5144600 83.6834864 83.7624396 84.0259512
84.1048719 84.5545978 84.7402971 84.9302904 85.1125119
85.2856012 85.8682726 86.0993071 86.4411996 86.7388640
86.8140438 87.1223079 87.4039274 87.6978779 87.7545239
87.8574899 88.0793615 88.9890606 89.0584721 89.2436785
89.4871868 89.6538304 89.8602948 90.2078176 90.5823876
90.7472575 91.1339365 91.2885449 91.5648443 91.8781175
92.1501906 92.2027003 92.4890441 92.7839374 93.1324686
93.2723545 93.5092732 93.8676235 94.0090486 94.4335656
94.9157813 95.1881811 95.4613018 95.8561523 96.1822750
96.9995323 97.1729663 97.4174384 97.7616419 98.1039579
98.6123094 98.7774083 99.4520380 99.5976348 99.8984390
100.3714598 100.4357512 101.0479787 101.2585551 101.4130099
101.6668021 101.8698688 102.3131682 102.6697826 102.8050313
102.9636311 103.6880348 104.0683094 104.2068840 104.8436237
104.9616764 105.7990258 106.1846311 106.4082062 106.4537199
106.8630229 107.3409239 107.6760584 108.1848567 109.0048821
109.2418104 109.4927729 109.8402065 110.5778792 110.9957342
111.3511486 112.1095917 112.7635689 112.9398028 113.3996618
113.7497705 114.0052726 114.3492895 114.5527346 114.9096893
115.1574317 116.0105183 116.1183504 116.4538655 117.3544823
117.7012931 118.2138455 118.7509348 119.4380466 119.8298977
120.4117220 120.7016183 121.0693500 122.0205782 122.1153932
122.4867167 123.0248607 123.7143740 124.0677702 124.3332525
125.2837773 126.1621417 128.2844884 128.6395985 128.9193133
130.0281668 130.8391604 131.1711887 132.1182733 132.6105307
133.9721983 135.6864491 136.1693581 136.7725547 137.1483968
137.8274771 138.6256250 139.8545022 140.4248369 142.3641908
143.1829134 144.8053423 148.5405895 149.7132280 151.6021739
153.5798640 154.5696930 155.9420692 158.8556785 163.1575429
170.8217405
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034237 0.0034337 0.0034354 0.0034401 0.0034444
0.0034525 77.7382582 84.5233294 102.3472485 106.4178761
112.5958330 132.1088077 135.5111866 148.5919353 151.7688776
163.6382214 169.8441811 172.3805648 175.2781960 183.6962050
190.2814470 197.0572331 206.6260812 216.6563156 218.1134280
222.0269682 229.0617489 232.3342864 243.3605522 246.1064711
251.4730854 253.5669857 261.7405322 266.1778708 267.9595022
278.4334277 281.6370213 284.9885265 287.9252393 293.6973190
297.9528625 303.0995227 306.3025002 307.5926341 314.8583136
316.8032028 319.1021882 331.4914289 333.2607351 335.8473185
339.0494105 343.5839545 344.6181858 347.3702511 352.2680212
357.3495496 357.8893729 365.2880924 366.1723932 367.4152321
372.8912395 377.1947336 381.7429401 384.2310112 391.5127641
393.6252660 399.5617247 404.9290949 407.2229990 410.0374775
415.1833358 417.3470947 418.1062347 419.4619115 426.7874156
430.5041976 432.8205307 436.8703381 439.2624769 440.9572964
445.1009749 448.0786032 449.3514247 451.1453468 455.1434008
456.5903093 458.9866095 461.0818704 462.9915383 469.0322510
473.0439831 473.2905070 477.1324012 478.0458005 480.3262625
484.1482866 485.4202344 486.3448717 489.1453790 492.2029558
495.7029545 496.8868398 498.5002500 501.5286817 504.7732425
505.9539142 508.0763643 509.6706408 515.6597326 519.0570837
523.0435733 524.3996139 525.7145491 527.3554338 528.8955224
531.6318713 532.8552343 534.0946813 536.1268606 540.3736953
542.3445362 542.5158440 546.1399413 548.5377931 550.0647241
550.9171334 552.3975007 555.2637475 556.0371710 557.5879871
560.6472664 561.2933329 562.2517094 563.2450014 566.4109114
569.0696653 571.1974333 571.8009058 574.6627823 575.7484740
577.9992175 580.4891678 580.6481187 583.4454189 585.4920944
587.2567840 589.6064304 590.9409381 591.4969113 594.5539858
595.0780092 596.8142879 598.1645232 599.8184218 602.0144624
602.4367299 604.3752800 606.0750811 607.2031873 608.8556650
610.5232808 611.3806938 615.1148168 616.9974286 618.1830173
619.4516676 622.6021638 623.0784653 625.8355196 626.6688354
626.9467060 628.8555146 631.4726331 632.4048907 633.6327191
633.8965521 639.6629692 640.1323770 641.1402111 641.4447456
642.0102607 644.7109815 645.7776951 647.4697403 649.3579526
650.9423055 653.0124076 655.3121127 656.1547467 656.7929484
658.2197852 660.6643800 663.1463990 663.2302163 664.6014299
666.5903408 667.2621587 668.1080613 670.4935523 672.3506199
672.8321885 674.4224808 676.1177943 676.7628810 678.7824736
680.6577387 681.4668945 682.5739905 683.4788511 685.1126224
686.6275983 687.3827344 689.6323029 690.1445727 691.7556248
693.1168975 694.3077244 695.0678308 696.3302000 697.2949707
698.2581187 699.9481855 700.4406978 702.1641069 704.0999633
705.3544233 706.5088500 707.6508343 709.1567964 709.9159750
711.7941354 713.8979132 715.1555613 717.4805032 717.7234356
718.6046796 720.4652855 722.0454216 722.8634244 723.5404338
726.4316183 728.2665817 729.0166170 730.0931519 731.7722865
733.1733536 733.5206287 734.4561553 737.0055906 738.0475867
738.5622440 740.3516431 742.4059304 743.1755580 745.0250872
746.2083191 747.3216993 748.8452744 749.8239643 752.0073279
753.1682244 753.9172062 754.9431926 756.5910026 758.3997776
760.2781909 760.4863969 762.3521597 762.5396173 763.6714756
764.9072263 765.3940616 765.6451094 767.7608911 769.4932118
770.5996188 771.0837321 771.7082112 774.3054182 774.4357118
777.0154410 777.5803441 778.6674584 779.9165474 781.4866410
783.0338675 784.7463459 785.7739736 786.6488720 787.8319377
788.6777322 790.3111293 790.9595592 792.0083024 792.8538397
794.4058735 795.5261954 796.8309021 797.0685366 798.5523559
800.2033469 802.3967851 802.9313097 804.8054516 805.0426348
807.9253289 808.0942844 809.2326673 810.5859365 813.3024646
814.3109392 815.4037362 815.4641173 815.8417327 817.8678279
818.9060986 821.2034779 821.9233466 824.4779236 824.9706637
825.6435903 828.2655633 830.6893397 832.5042831 833.4961590
834.9666801 837.1816103 837.9822883 838.9539492 840.5600221
842.1960380 843.1456643 845.0311920 846.0075432 846.9117519
849.0751813 849.2553667 852.0878849 853.2339044 853.4396788
855.8556510 856.4374741 858.7874706 859.7289130 860.2366602
861.7783734 863.7439465 865.3419543 866.6402944 867.0771549
868.6303562 870.3463298 871.4380995 871.8480953 874.0098672
875.0750078 876.5173877 878.7435291 879.2597313 880.8623584
881.3502255 884.0248778 884.8088169 886.1474239 887.1389908
888.5345070 891.1000251 892.1646369 893.6331714 895.2807443
897.5997276 897.8013979 898.5498582 901.8006823 902.3591084
903.5138198 904.1555592 905.1294674 906.8375946 907.5197088
909.1235433 909.8598413 911.1783275 913.2148344 914.0738593
915.0251191 916.3042139 917.0850287 920.1633074 921.0116963
923.3039204 923.7964404 925.1632665 925.1950702 926.6927623
926.9700382 928.2184201 929.5774254 931.2657588 932.4387040
933.2889176 934.4799463 936.4381768 937.2346543 937.8174726
939.0774250 939.9509129 940.8710995 942.1660048 944.2495337
945.7031867 947.0633172 950.6510926 952.8696402 953.7410055
954.2651663 955.6013562 956.8527613 957.5653731 958.4497994
960.5191175 961.5733545 962.9444970 965.6389224 966.3834404
967.2275454 968.7173579 969.8481597 971.0258355 972.7849065
973.5678667 976.0956109 976.6136230 978.9522424 979.4774501
982.1312885 983.3704343 984.6165557 986.7868300 989.2524608
990.2700443 992.3756944 993.3794304 993.8479340 995.4099992
995.8773548 998.5363848 999.6322788 1000.7522718 1001.8252747
1002.8434402 1006.2633228 1007.6161240 1009.6147175 1011.3515519
1011.7897451 1013.5845125 1015.2213774 1016.9271038 1017.2554783
1017.8520977 1019.1365075 1024.3858984 1024.7853311 1025.8503521
1027.2489547 1028.2049847 1029.3882338 1031.3768242 1033.5158996
1034.4560281 1036.6576223 1037.5365923 1039.1055417 1040.8815834
1042.4215937 1042.7185516 1044.3364250 1045.9999879 1047.9627303
1048.7494601 1050.0805662 1052.0907242 1052.8829891 1055.2575653
1057.9484188 1059.4654394 1060.9842975 1063.1762746 1064.9833128
1069.4983047 1070.4540026 1071.7997046 1073.6915215 1075.5696645
1078.3527375 1079.2550607 1082.9343358 1083.7267489 1085.3620475
1087.9286166 1088.2769889 1091.5888618 1092.7256645 1093.5587419
1094.9262351 1096.0191787 1098.4013216 1100.3139056 1101.0383981
1101.8873704 1105.7567574 1107.7825759 1108.5198774 1111.9014376
1112.5272554 1116.9561265 1118.9897584 1120.1671730 1120.4067103
1122.5585651 1125.0658561 1126.8207999 1129.4799277 1133.7524927
1134.9839618 1136.2869198 1138.0882788 1141.9035111 1144.0590067
1145.8892123 1149.7850720 1153.1337588 1154.0345013 1156.3815661
1158.1652892 1159.4652819 1161.2133376 1162.2458678 1164.0552811
1165.3094426 1169.6177861 1170.1612411 1171.8505673 1176.3731981
1178.1101490 1180.6725136 1183.3515905 1186.7701826 1188.7153603
1191.5977211 1193.0312697 1194.8472424 1199.5319488 1199.9979009
1201.8209683 1204.4581682 1207.8287451 1209.5526261 1210.8460454
1215.4656774 1219.7190499 1229.9355473 1231.6366910 1232.9750031
1238.2661478 1242.1217157 1243.6967726 1248.1785784 1250.5017008
1256.9054869 1264.9213385 1267.1702709 1269.9737952 1271.7175007
1274.8620215 1278.5480050 1284.2024853 1286.8183470 1295.6737561
1299.3940619 1306.7351477 1323.4814295 1328.6952042 1337.0510663
1345.7438990 1350.0736235 1356.0538202 1368.6633950 1387.0715322
1419.2759762
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 24041412150577045.eigenfacs
Openam> file on opening on unit 10:
24041412150577045.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 24041412150577045.atom
Openam> file on opening on unit 11:
24041412150577045.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 = 194
First residue number = 96
Last residue number = 289
Number of atoms found = 197
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: 9.9405E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9982E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0036E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0061E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0108E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5125
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6058
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8883
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9604
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: 1.480
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.557
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.872
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.953
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.271
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.446
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.520
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.605
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.862
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.293
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.621
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.981
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.180
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.450
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.578
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 5.022
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.136
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.363
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.810
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.008
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.726
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.030
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.315
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.528
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.791
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.956
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.023
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.407
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.635
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.319
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.418
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.565
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.748
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 17.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.71
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 591 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 : 0.512500
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= 0.668 for 197 C-alpha atoms.
Bfactors> = 1.578 +/- 2.48
Bfactors> = 18.896 +/- 6.56
Bfactors> Shiftng-fct= 17.318
Bfactors> Scaling-fct= 2.640
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 24041412150577045 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=0
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=100
24041412150577045.eigenfacs
24041412150577045.atom
making animated gifs
11 models are in 24041412150577045.7.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 24041412150577045.7.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 24041412150577045.7.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 24041412150577045 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=0
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=100
24041412150577045.eigenfacs
24041412150577045.atom
making animated gifs
11 models are in 24041412150577045.8.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 24041412150577045.8.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 24041412150577045.8.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 24041412150577045 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=0
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=100
24041412150577045.eigenfacs
24041412150577045.atom
making animated gifs
11 models are in 24041412150577045.9.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 24041412150577045.9.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 24041412150577045.9.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 24041412150577045 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=0
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=100
24041412150577045.eigenfacs
24041412150577045.atom
making animated gifs
11 models are in 24041412150577045.10.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 24041412150577045.10.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 24041412150577045.10.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 24041412150577045 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=0
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=100
24041412150577045.eigenfacs
24041412150577045.atom
making animated gifs
11 models are in 24041412150577045.11.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 24041412150577045.11.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 24041412150577045.11.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 24041412150577045 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=0
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=100
24041412150577045.eigenfacs
24041412150577045.atom
making animated gifs
11 models are in 24041412150577045.12.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 24041412150577045.12.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 24041412150577045.12.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 24041412150577045 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=0
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=100
24041412150577045.eigenfacs
24041412150577045.atom
making animated gifs
11 models are in 24041412150577045.13.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 24041412150577045.13.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 24041412150577045.13.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 24041412150577045 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=0
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=100
24041412150577045.eigenfacs
24041412150577045.atom
making animated gifs
11 models are in 24041412150577045.14.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 24041412150577045.14.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 24041412150577045.14.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 24041412150577045 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=0
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=100
24041412150577045.eigenfacs
24041412150577045.atom
making animated gifs
11 models are in 24041412150577045.15.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 24041412150577045.15.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 24041412150577045.15.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 24041412150577045 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=-20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=0
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=20
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=40
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=60
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=80
24041412150577045.eigenfacs
24041412150577045.atom
calculating perturbed structure for DQ=100
24041412150577045.eigenfacs
24041412150577045.atom
making animated gifs
11 models are in 24041412150577045.16.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 24041412150577045.16.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 24041412150577045.16.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
24041412150577045.10.pdb
24041412150577045.11.pdb
24041412150577045.12.pdb
24041412150577045.13.pdb
24041412150577045.14.pdb
24041412150577045.15.pdb
24041412150577045.16.pdb
24041412150577045.7.pdb
24041412150577045.8.pdb
24041412150577045.9.pdb
STDERR:
real 0m2.996s
user 0m2.984s
sys 0m0.012s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 24041412150577045.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
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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
pstopnm: Writing ppmraw format
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
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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
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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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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