*** ***
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 = 24041412272582721.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 24041412272582721.atom to be opened.
Openam> File opened: 24041412272582721.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 195
First residue number = 96
Last residue number = 401
Number of atoms found = 195
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.682903 +/- 9.275818 From: -18.713000 To: 21.675000
= 0.234426 +/- 7.595433 From: -19.122000 To: 16.223000
= 31.315205 +/- 10.839630 From: 11.966000 To: 53.399000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> 1 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.4303 % Filled.
Pdbmat> 16164 non-zero elements.
Pdbmat> 1666 atom-atom interactions.
Pdbmat> Number per atom= 17.09 +/- 5.19
Maximum number = 28
Minimum number = 6
Pdbmat> Matrix trace = 33320.0
Pdbmat> Larger element = 116.676
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 195 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) = 585
Diagstd> Number of non-zero elements 16164
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 33320.0000006
%Diagstd-Wn: Nb on non-zero elements there: 585
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 585 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 33320.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.4902422 0.5919211 0.8651708 0.9281440
1.0262167 1.4587387 1.5270228 1.8970199 1.9943204
2.2326418 2.3726912 2.4514022 2.6764331 2.9178851
2.9683305 3.2765694 3.4794960 3.8779299 3.9565628
4.1714551 4.3428819 4.5748512 4.9274691 5.0301489
5.2409026 5.4224187 5.4778190 5.8024484 5.9537567
6.3638876 6.5174822 6.6109235 6.7065675 6.8359255
7.1320171 7.6169440 7.9979443 8.0318105 8.1183832
8.3285091 8.6065532 8.9454357 9.1184597 9.3108642
9.6882461 9.7033681 9.9570459 10.0248771 10.4638453
10.5158945 10.8334325 11.0249412 11.1433028 11.4942848
11.5174358 11.6676135 12.1330807 12.2616787 12.7637662
13.0170797 13.1538957 13.3201692 13.3866588 13.6632120
14.3116306 14.3374788 14.4386698 14.6636971 14.7924631
15.0703658 15.1291196 15.6405773 15.9297185 16.0318654
16.1984397 16.3291510 16.4917654 16.7926536 16.8428140
17.3980723 17.5084089 17.7777150 17.8894605 18.1103661
18.1858408 18.4115116 18.6583721 18.8426462 18.9502353
18.9715915 19.1292994 19.4714772 19.5134615 19.9014629
19.9678513 20.3292773 20.5787046 20.7925649 20.8562634
21.0278514 21.3605852 21.4530349 21.6095024 21.7751020
21.9783603 22.5330349 22.6774575 23.0025596 23.0246549
23.2647811 23.3808071 23.6432275 23.8694366 23.9049364
24.0654752 24.4417935 24.5443878 24.7007348 24.8661366
25.0976383 25.3194743 25.6644377 25.7230571 25.9865572
26.1903288 26.4320854 26.4805106 26.5577235 26.7866830
27.0302222 27.1862483 27.2076012 27.6628909 27.8810216
28.0735055 28.2595101 28.3942742 28.4534295 28.6650231
28.7279730 28.7845966 28.9103652 29.1339825 29.1993703
29.3117065 29.4257444 29.6631156 29.7947769 30.0601401
30.1962918 30.3100750 30.5256501 30.6843152 30.9015315
30.9958392 31.1498523 31.3650897 31.5361241 31.7909404
32.0533809 32.2123350 32.2960316 32.5988163 32.8512977
32.8959606 33.2847607 33.3496405 33.6379517 33.6526426
33.8556356 34.0438184 34.1147921 34.1660798 34.4292703
34.5362815 34.7187768 34.9463560 35.0478442 35.2109501
35.3741352 35.4358250 35.5859891 35.7745731 35.9740228
36.1984387 36.3255796 36.4670773 36.5965826 36.8237908
36.8522713 37.0793443 37.1769039 37.3192748 37.6055812
37.7595825 37.9345787 38.1228157 38.2593754 38.4195636
38.6287017 38.7246420 38.9079902 39.0385524 39.1625801
39.3336840 39.3481447 39.5715191 39.7110236 39.8885906
39.9259552 39.9866157 40.2056401 40.2990552 40.3699866
40.6736224 40.7280388 40.9108877 40.9789037 41.1406744
41.2459600 41.3471983 41.6510236 41.7595988 41.9749713
42.2267418 42.2741601 42.6350417 42.7446001 42.7993285
42.9040630 43.0021519 43.1711641 43.3514107 43.5469706
43.6445368 43.7204019 43.9686128 44.0908809 44.2602377
44.4134859 44.5757807 44.6907658 44.9597173 44.9805447
45.1990003 45.2679011 45.5036866 45.5585802 45.6360729
45.8571070 46.0982500 46.1778524 46.3581645 46.5419947
46.7407121 46.8342062 47.0278370 47.0758434 47.2798025
47.4074429 47.6682855 47.8260085 48.0874364 48.2447489
48.4221587 48.6055373 48.7329202 48.8874995 49.0627319
49.1133438 49.3179676 49.4335268 49.5477501 49.6778341
49.8272758 50.0482223 50.5308191 50.8504533 50.9523366
51.2082830 51.4058084 51.4904547 51.6782467 51.7918592
52.1170632 52.2635582 52.2840167 52.4170613 52.7064441
52.8357788 52.9454244 53.0844561 53.1861041 53.5640730
53.6869941 53.8010214 53.9480953 54.2822769 54.5108001
54.7748704 55.0476785 55.2594411 55.3815852 55.4499154
55.4985133 55.8952258 56.0249908 56.1314933 56.2647431
56.4116443 56.6818042 56.8353361 57.0338723 57.2162700
57.2885788 57.6479544 57.8104157 57.9819483 58.2600416
58.2837789 58.6399454 58.7974116 59.0282583 59.1951289
59.4727899 59.6265899 59.6824609 60.0204038 60.0905979
60.1490840 60.3620363 60.4773614 60.6075950 60.7431205
60.8557217 61.1352437 61.4000376 61.4276295 61.6857570
61.9061280 62.0367986 62.1138601 62.2097812 62.4730054
62.6014120 62.8736110 63.1228993 63.4050981 63.5633206
63.5744153 63.7802011 64.0027381 64.4055636 64.6999349
64.8767655 65.1098605 65.2581125 65.4410270 65.8125693
66.0664696 66.1524720 66.5721984 66.7506838 66.8169199
67.2005553 67.2667238 67.5227323 67.5847203 67.7079690
67.8383515 68.0378056 68.2907230 68.5087291 68.6984337
68.8058245 69.0364435 69.3078815 69.3373026 69.5731183
69.6298521 69.8046546 70.1813309 70.4404910 70.6462182
70.8122748 70.9981625 71.1349614 71.3962325 71.5495810
71.7160078 71.8436953 72.1450316 72.2959892 72.8659849
73.0753832 73.1595169 73.3770644 73.5518848 73.9031029
73.9732193 74.2589046 74.3942217 74.5846899 74.7781225
74.8098892 75.0735350 75.3349269 75.4412291 76.0688465
76.2487410 76.5719569 76.6766958 77.0995009 77.2099491
77.3558926 77.5473526 77.6872808 77.9721147 78.1068296
78.4440842 78.5671658 78.8790253 79.2263195 79.7301185
79.8859037 80.0533237 80.2746054 80.5175133 80.5590832
80.8013689 81.0271628 81.3502751 81.7312070 81.8957060
82.1465608 82.2785958 82.3625284 82.4351605 82.9188136
83.0015220 83.2883067 83.6011197 83.6792843 83.9642699
84.1169661 84.2500738 84.6069803 84.9223883 85.2335302
85.3552541 85.8167117 85.9785151 86.7401081 87.0253480
87.1588554 87.3138785 87.4570518 87.6744075 87.9700854
88.1793586 88.3472783 88.8088847 89.0976564 89.2538948
89.4544286 89.5107660 89.9810283 90.1842963 90.5006312
90.6026522 90.9978133 91.1129902 91.4587688 91.8091870
92.1658820 92.4923785 92.8946715 93.1943240 93.6178987
93.7199308 94.1422234 94.9200736 95.2549547 95.5276545
95.7628283 96.0220697 96.3711898 96.9499065 97.0179197
97.4710306 97.8965826 98.0597999 98.3744225 98.9577918
99.1666782 99.1968446 99.5633678 99.8756569 100.2242455
100.4114602 100.7564954 101.3403815 101.5445789 101.6759172
102.2850298 102.5329432 102.6488011 103.1852083 103.8232029
104.0200327 104.9613362 105.2151933 105.6179968 105.9377734
105.9914728 106.2768495 106.8079793 107.4077014 107.6438227
107.9803736 108.2790516 109.5467895 109.6344870 110.1659329
110.2034467 110.5733912 110.9158311 111.3957911 112.2150411
112.9317931 113.8125152 113.9163573 114.0225477 114.8461778
115.1626258 115.4892599 115.8081611 116.3771018 117.3191366
118.1509608 118.4755280 118.8409220 119.5758480 120.0178188
120.3091357 120.6622571 121.8223061 122.6664780 123.4505456
123.9034037 124.7562848 125.2822794 126.4178445 126.7196597
127.4082244 128.4935637 129.2536239 130.2404622 131.3980726
131.6453216 132.4495072 133.6015895 134.4885126 135.1113393
135.4374528 136.3818174 137.8647968 138.2877406 139.5029308
140.3178146 141.6814087 142.1366046 143.7385435 144.7335831
145.3895731 150.6140003 152.9897658 156.1720095 164.0413928
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034197 0.0034234 0.0034320 0.0034370 0.0034417
0.0034505 76.0327369 83.5462932 101.0057731 104.6171688
110.0056038 131.1547510 134.1893483 149.5654307 153.3531663
162.2575086 167.2691652 170.0209996 177.6533809 185.4937895
187.0903588 196.5644450 202.5598889 213.8431088 216.0002795
221.7885233 226.2998613 232.2649965 241.0500545 243.5486358
248.5983981 252.8667955 254.1552697 261.5778239 264.9664107
273.9406814 277.2267976 279.2070281 281.2194986 283.9186637
290.0023172 299.6992547 307.1032898 307.7527965 309.4069418
313.3855099 318.5736925 324.7850493 327.9110276 331.3525184
338.0009042 338.2645872 342.6577318 343.8229080 351.2698991
352.1424579 357.4195647 360.5648783 362.4951878 368.1597075
368.5302828 370.9251646 378.2516437 380.2508957 387.9579893
391.7888413 393.8424069 396.3237974 397.3117205 401.3947467
410.8088951 411.1797083 412.6281684 415.8311516 417.6529247
421.5578470 422.3787964 429.4589612 433.4104029 434.7977715
437.0507528 438.8105719 440.9901150 444.9948086 445.6589231
452.9453928 454.3793861 457.8605758 459.2973106 462.1243948
463.0863419 465.9507375 469.0640564 471.3746548 472.7184836
472.9847762 474.9466327 479.1756384 479.6919590 484.4375293
485.2448633 489.6167311 492.6112173 495.1642857 495.9221788
497.9580188 501.8822695 502.9671830 504.7980444 506.7285566
509.0880760 515.4720540 517.1213413 520.8148542 521.0649307
523.7750003 525.0794596 528.0179188 530.5378396 530.9322137
532.7120257 536.8609496 537.9865054 539.6972645 541.5012185
544.0160449 546.4150115 550.1247160 550.7526196 553.5663129
555.7324490 558.2914724 558.8026506 559.6167468 562.0238548
564.5729790 566.2000717 566.4223831 571.1419535 573.3893495
575.3652164 577.2681478 578.6429497 579.2453957 581.3951822
582.0332190 582.6065382 583.8779430 586.1316964 586.7890802
587.9167478 589.0592899 591.4304249 592.7415193 595.3752544
596.7220511 597.8452539 599.9675215 601.5247455 603.6501076
604.5705388 606.0706825 608.1609730 609.8168756 612.2756213
614.7976549 616.3201737 617.1203400 620.0064326 622.4028111
622.8257599 626.4955634 627.1058593 629.8107246 629.9482399
631.8453095 633.5988979 634.2590092 634.7355983 637.1756772
638.1651269 639.8489892 641.9426467 642.8741082 644.3682781
645.8597140 646.4226335 647.7908374 649.5050177 651.3130543
653.3414318 654.4878020 655.7612640 656.9246319 658.9607202
659.2154996 661.2433281 662.1126563 663.3792427 665.9190409
667.2811736 668.8256385 670.4829913 671.6827856 673.0874516
674.9169517 675.7545618 677.3524081 678.4879402 679.5648830
681.0477967 681.1729760 683.1037057 684.3067457 685.8349708
686.1561145 686.6771637 688.5552127 689.3546544 689.9610633
692.5509136 693.0140335 694.5679376 695.1450717 696.5158176
697.4064963 698.2618643 700.8226344 701.7354867 703.5427374
705.6495460 706.0456382 709.0528818 709.9633162 710.4176751
711.2863771 712.0989980 713.4970145 714.9849452 716.5957934
717.3981040 718.0213419 720.0566444 721.0571173 722.4406108
723.6902319 725.0112727 725.9457695 728.1268839 728.2955151
730.0619178 730.6181543 732.5184575 732.9601626 733.5832605
735.3576362 737.2885671 737.9248676 739.3641627 740.8286623
742.4085123 743.1506500 744.6853027 745.0652956 746.6775732
747.6847890 749.7389022 750.9782319 753.0279439 754.2586605
755.6442005 757.0736912 758.0650920 759.2664194 760.6259598
761.0181799 762.6018695 763.4947910 764.3763640 765.3791136
766.5294622 768.2270732 771.9220549 774.3596136 775.1349741
777.0793845 778.5766533 779.2174038 780.6370607 781.4946894
783.9443746 785.0453892 785.1990265 786.1974212 788.3646434
789.3313225 790.1499142 791.1866787 791.9438121 794.7528185
795.6642121 796.5087306 797.5966813 800.0632247 801.7455505
803.6851793 805.6840844 807.2322873 808.1239382 808.6223192
808.9765912 811.8627917 812.8046460 813.5768425 814.5419398
815.6045874 817.5552524 818.6617444 820.0903651 821.4006671
821.9195388 824.4934902 825.6544507 826.8784667 828.8590342
829.0278711 831.5570671 832.6728115 834.3058036 835.4842470
837.4414181 838.5235539 838.9163170 841.2880822 841.7798833
842.1894356 843.6789653 844.4845291 845.3933080 846.3379780
847.1220547 849.0653230 850.9021065 851.0932736 852.8796061
854.4016941 855.3029490 855.8340081 856.4945761 858.3046784
859.1863028 861.0522031 862.7575122 864.6838940 865.7620972
865.8376515 867.2378464 868.7494791 871.4790929 873.4684088
874.6612273 876.2310986 877.2280993 878.4566471 880.9468420
882.6445225 883.2188293 886.0163366 887.2032824 887.6433550
890.1879498 890.6261005 892.3192950 892.7287898 893.5424169
894.4023327 895.7162006 897.3794824 898.8107041 900.0542725
900.7574899 902.2657779 904.0378052 904.2296662 905.7660007
906.1352313 907.2719239 909.7165178 911.3946348 912.7245655
913.7966326 914.9952399 915.8763197 917.5567361 918.5415950
919.6092543 920.4275544 922.3558237 923.3202968 926.9529693
928.2839274 928.8181528 930.1980973 931.3055332 933.5264269
933.9691691 935.7709300 936.6231388 937.8213697 939.0366841
939.2361207 940.8896979 942.5262749 943.1910217 947.1062347
948.2254750 950.2330977 950.8827638 953.5008041 954.1835241
955.0849047 956.2661181 957.1284834 958.8814935 959.7094810
961.7791962 962.5334334 964.4418515 966.5626759 969.6309846
970.5778068 971.5943132 972.9362169 974.4071388 974.6586418
976.1232102 977.4861133 979.4331367 981.7236117 982.7110646
984.2149851 985.0056372 985.5079123 985.9423560 988.8304238
989.3234613 991.0311301 992.8904360 993.3544894 995.0445794
995.9489554 996.7366446 998.8456389 1000.7057150 1002.5372510
1003.2528683 1005.9611644 1006.9090642 1011.3588048 1013.0203381
1013.7970878 1014.6982710 1015.5298580 1016.7910157 1018.5041127
1019.7148597 1020.6853182 1023.3483371 1025.0107510 1025.9090680
1027.0609171 1027.3842820 1030.0795286 1031.2423520 1033.0493869
1033.6314995 1035.8831255 1036.5384819 1038.5034786 1040.4910550
1042.5103421 1044.3552497 1046.6239824 1048.3106827 1050.6903045
1051.2627111 1053.6284909 1057.9723397 1059.8369772 1061.3529654
1062.6586028 1064.0960025 1066.0286845 1069.2246874 1069.5996675
1072.0944784 1074.4322762 1075.3275721 1077.0512728 1080.2400580
1081.3795770 1081.5440418 1083.5403022 1085.2382808 1087.1304943
1088.1453778 1090.0133241 1093.1670875 1094.2678803 1094.9753175
1098.2502689 1099.5804059 1100.2014701 1103.0723608 1106.4772565
1107.5255993 1112.5254526 1113.8700046 1116.0001253 1117.6882896
1117.9715291 1119.4755583 1122.2694208 1125.4157570 1126.6521150
1128.4119925 1129.9715310 1136.5671703 1137.0220177 1139.7745054
1139.9685477 1141.8803381 1143.6471424 1146.1188923 1150.3256842
1153.9935786 1158.4846688 1159.0130470 1159.5531247 1163.7335453
1165.3357221 1166.9871647 1168.5972581 1171.4642752 1176.1960306
1180.3584383 1181.9785810 1183.7998660 1187.4546023 1189.6470857
1191.0900145 1192.8367277 1198.5569886 1202.7025402 1206.5401742
1208.7511455 1212.9041915 1215.4584117 1220.9544744 1222.4110842
1225.7277317 1230.9374005 1234.5726297 1239.2765866 1244.7719056
1245.9424857 1249.7422538 1255.1657868 1259.3251466 1262.2377941
1263.7601855 1268.1584419 1275.0346079 1276.9888955 1282.5873321
1286.3278906 1292.5629803 1294.6376969 1301.9128098 1306.4113270
1309.3685669 1332.6863578 1343.1560424 1357.0532190 1390.8234491
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 24041412272582721.eigenfacs
Openam> file on opening on unit 10:
24041412272582721.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 24041412272582721.atom
Openam> file on opening on unit 11:
24041412272582721.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 195
First residue number = 96
Last residue number = 401
Number of atoms found = 195
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: 9.9171E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9385E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9888E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0018E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0045E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0097E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4902
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5919
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8652
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9281
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.459
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.527
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.897
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.994
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.233
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.373
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.451
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.676
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.918
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.479
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.878
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.171
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.343
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.575
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.927
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.030
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.241
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.478
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.802
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.364
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.517
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.611
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.707
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.836
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.617
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.998
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.118
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.329
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.607
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.945
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.118
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.311
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.688
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.703
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 18.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 18.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 19.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 19.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 20.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.03
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 585 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 : 0.490200
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= 0.610 for 194 C-alpha atoms.
Bfactors> = 1.640 +/- 2.50
Bfactors> = 41.664 +/- 11.38
Bfactors> Shiftng-fct= 40.024
Bfactors> Scaling-fct= 4.542
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 24041412272582721 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=0
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=100
24041412272582721.eigenfacs
24041412272582721.atom
making animated gifs
11 models are in 24041412272582721.7.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 24041412272582721.7.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 24041412272582721.7.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 24041412272582721 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=0
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=100
24041412272582721.eigenfacs
24041412272582721.atom
making animated gifs
11 models are in 24041412272582721.8.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 24041412272582721.8.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 24041412272582721.8.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 24041412272582721 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=0
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=100
24041412272582721.eigenfacs
24041412272582721.atom
making animated gifs
11 models are in 24041412272582721.9.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 24041412272582721.9.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 24041412272582721.9.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 24041412272582721 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=0
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=100
24041412272582721.eigenfacs
24041412272582721.atom
making animated gifs
11 models are in 24041412272582721.10.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 24041412272582721.10.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 24041412272582721.10.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 24041412272582721 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=0
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=100
24041412272582721.eigenfacs
24041412272582721.atom
making animated gifs
11 models are in 24041412272582721.11.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 24041412272582721.11.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 24041412272582721.11.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 24041412272582721 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=0
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=100
24041412272582721.eigenfacs
24041412272582721.atom
making animated gifs
11 models are in 24041412272582721.12.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 24041412272582721.12.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 24041412272582721.12.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 24041412272582721 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=0
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=100
24041412272582721.eigenfacs
24041412272582721.atom
making animated gifs
11 models are in 24041412272582721.13.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 24041412272582721.13.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 24041412272582721.13.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 24041412272582721 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=0
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=100
24041412272582721.eigenfacs
24041412272582721.atom
making animated gifs
11 models are in 24041412272582721.14.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 24041412272582721.14.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 24041412272582721.14.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 24041412272582721 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=0
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=100
24041412272582721.eigenfacs
24041412272582721.atom
making animated gifs
11 models are in 24041412272582721.15.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 24041412272582721.15.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 24041412272582721.15.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 24041412272582721 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=-20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=0
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=20
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=40
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=60
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=80
24041412272582721.eigenfacs
24041412272582721.atom
calculating perturbed structure for DQ=100
24041412272582721.eigenfacs
24041412272582721.atom
making animated gifs
11 models are in 24041412272582721.16.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 24041412272582721.16.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 24041412272582721.16.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
24041412272582721.10.pdb
24041412272582721.11.pdb
24041412272582721.12.pdb
24041412272582721.13.pdb
24041412272582721.14.pdb
24041412272582721.15.pdb
24041412272582721.16.pdb
24041412272582721.7.pdb
24041412272582721.8.pdb
24041412272582721.9.pdb
STDERR:
real 0m2.994s
user 0m2.986s
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: 24041412272582721.Chkmod.res: No such file or directory
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
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
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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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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