*** ***
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 = 2404250248312395522.atom
Pdbmat> Distance cutoff = 8.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2404250248312395522.atom to be opened.
Openam> File opened: 2404250248312395522.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 5.6393 % Filled.
Pdbmat> 9666 non-zero elements.
Pdbmat> 944 atom-atom interactions.
Pdbmat> Number per atom= 9.68 +/- 3.11
Maximum number = 17
Minimum number = 3
Pdbmat> Matrix trace = 18880.0
Pdbmat> Larger element = 77.3370
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 9666
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 18880.0000006
%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 = 18880.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0016669 0.0476005 0.0620651 0.0678011
0.0842196 0.0907024 0.1352516 0.1760844 0.2081957
0.2402105 0.2567651 0.2821998 0.3096895 0.3220966
0.3848950 0.4392599 0.5459870 0.5815309 0.6135909
0.6220472 0.6560945 0.7359265 0.7460702 0.7971072
0.8301426 0.8607773 0.9170166 0.9527785 1.0219905
1.0697604 1.0961113 1.1995657 1.3086775 1.4557349
1.4846017 1.5250595 1.5679965 1.6463383 1.6888267
1.7753143 1.8005212 1.8405741 1.8936568 2.0053753
2.0154780 2.1483303 2.2478523 2.3002408 2.3911111
2.5084654 2.5275491 2.6371342 2.7343806 2.7912856
2.8649037 2.9567568 3.0218962 3.0730599 3.1457460
3.2310591 3.2734301 3.3902011 3.4317628 3.4891986
3.6888652 3.7202376 3.8195069 3.8637291 4.0165688
4.1415531 4.1765784 4.2136203 4.3052276 4.4013932
4.4978768 4.5915695 4.6784916 4.8544757 4.8762434
4.9384164 4.9713670 5.0521672 5.1620661 5.2395684
5.3126432 5.3712236 5.4360511 5.5012026 5.6468464
5.7437178 5.7917586 5.9070132 6.0315103 6.0507886
6.1805196 6.3350612 6.3610007 6.5137737 6.6156584
6.7184352 6.7610327 6.9125342 7.0259579 7.0563174
7.1619372 7.2257041 7.3567067 7.3741685 7.4794690
7.5521012 7.7372310 7.7573164 7.9358505 7.9854696
8.1302705 8.2723484 8.3348572 8.4572723 8.5090539
8.7076977 8.7677405 8.8813798 8.9124425 8.9976355
9.1579757 9.2073824 9.3133503 9.4551449 9.5721723
9.6049544 9.8086400 9.8386777 9.9155327 9.9709080
10.0400740 10.2247791 10.3401377 10.4176946 10.4756610
10.5982302 10.6923361 10.7087126 10.8506875 10.9055635
11.1404476 11.2813707 11.3680417 11.4232215 11.4997378
11.7128966 11.8383316 12.0427266 12.0787423 12.1174503
12.1751611 12.4264604 12.5749825 12.5899040 12.7508065
12.8528558 12.9831991 13.0627450 13.3018038 13.4713131
13.5009698 13.7519001 13.7679744 13.8339663 13.8823096
13.9347801 13.9880430 14.1682616 14.2721074 14.4229701
14.4301184 14.5852685 14.6401106 14.7030032 14.8047102
14.8798879 15.0112398 15.1283559 15.1972339 15.4453252
15.4657539 15.5583439 15.6730030 15.7914871 16.0228810
16.0929806 16.1575288 16.3225460 16.3932927 16.5767125
16.6921520 16.7437889 16.8426771 17.0102038 17.0895094
17.2414736 17.3577483 17.4372378 17.5124427 17.5885800
17.8342121 17.9460059 18.0454388 18.0932370 18.1988497
18.3916805 18.6272113 18.7623905 18.8137627 18.8990217
19.0507721 19.2279327 19.4035441 19.4730772 19.5900027
19.6436460 19.6526560 19.8501445 20.0013139 20.1057238
20.2697127 20.4130566 20.5885280 20.6998890 20.7221904
20.8279423 20.8815975 21.1109528 21.3583300 21.3846081
21.5957072 21.7414421 21.8096517 21.9349777 22.0970179
22.1140173 22.3036101 22.4204395 22.4667265 22.6331228
22.7843153 22.8665825 22.9597926 23.0929211 23.1265023
23.2294267 23.2811418 23.5718129 23.6084728 23.6689483
23.8960396 23.9198781 24.0626167 24.1448499 24.2510594
24.5167404 24.5428385 24.6734238 24.7645936 24.9415752
25.0016084 25.0866036 25.1476929 25.3034629 25.4097490
25.5391224 25.6886375 25.7063718 25.7669745 25.9379881
26.1540008 26.2595638 26.3363620 26.4167038 26.5006869
26.6310495 26.6970381 26.7915641 26.8644173 26.9849790
27.1964742 27.2604368 27.4930447 27.5678790 27.6297815
27.6722706 27.7706660 27.8802178 28.0049015 28.1382026
28.2142898 28.3429719 28.5176470 28.5689713 28.7145766
28.7956677 28.9412367 29.1557572 29.3060391 29.3912132
29.4947853 29.6188486 29.7359577 29.9242343 30.0784174
30.2119065 30.2515212 30.4311794 30.6415276 30.7217996
30.9146707 30.9406547 31.0222061 31.1370393 31.2107157
31.3183481 31.4929444 31.6607577 31.7001406 31.7960887
31.8903203 32.0835318 32.3015368 32.3935441 32.5582934
32.8492753 32.8926411 33.0758147 33.2900419 33.5029622
33.6722272 33.8263741 34.0220847 34.2197894 34.3020496
34.5177389 34.5616861 34.7019693 34.8116144 34.9719609
35.1561254 35.2336425 35.3872377 35.6542508 35.6876197
35.8583351 36.0982096 36.1231449 36.3389032 36.5009977
36.5552431 36.7634209 36.9349270 36.9979571 37.1832531
37.2883016 37.3391487 37.5766618 37.6697807 37.8257250
38.1039374 38.1603259 38.3204926 38.4899260 38.5807730
38.7709307 38.7778213 39.0235605 39.1402774 39.2619673
39.2838989 39.5334963 39.6290842 39.8172647 40.0385679
40.2383927 40.3317445 40.4261268 40.5573533 40.6511283
40.9851020 41.0218351 41.2570274 41.4527068 41.7221675
41.8047383 42.0245192 42.1307338 42.4137608 42.4712424
42.7122832 42.8376543 42.8964154 43.2302494 43.3865573
43.6881161 43.7650323 43.8384045 44.0311267 44.3050979
44.5277459 44.6124686 44.9636072 45.1108912 45.2131797
45.4614966 45.5488036 45.7173612 45.8082649 46.0779878
46.1806873 46.2730818 46.7255736 46.8123669 46.8486659
47.1864722 47.3135737 47.4640431 47.6297932 47.8014735
47.9402309 48.0465504 48.1816727 48.4273767 48.6212357
48.7095085 49.0571928 49.1768023 49.2524862 49.5250349
49.7088287 49.8055218 50.2463911 50.3746034 50.4670146
50.6884576 50.7647595 51.0048926 51.1645236 51.4555353
51.5377693 51.6345067 52.0744071 52.1112548 52.2812919
52.3809394 52.6375890 52.9411082 53.2067718 53.2570065
53.5141268 53.6486960 53.7461834 53.9167383 54.0936223
54.5252788 54.8974863 55.0481431 55.1347248 55.2715886
55.3060993 55.6244015 55.9412517 55.9949394 56.3053714
56.4376012 56.5345718 56.7775540 57.0269160 57.2087426
57.3567889 57.5653386 57.9223874 58.0945680 58.3932395
58.4616932 58.6889368 58.8066713 58.9289598 59.1271530
59.2711502 59.8289733 59.9982656 60.2133388 60.2731991
60.8451577 61.0688022 61.4305041 61.4800650 61.8792953
62.2498400 62.5251119 62.6058858 62.7467201 63.3782728
63.6339471 63.7058022 64.0062218 64.3201708 64.4979347
64.5284695 64.7890012 65.0408878 65.6111816 65.6683155
65.8738152 66.1919901 66.3441061 67.2187890 67.8021347
68.1088484 68.4791685 68.8528783 69.0759136 69.4437807
69.5042025 69.7678436 70.1939665 70.8151155 71.1831406
71.2862580 71.3790328 71.8617673 72.0833880 72.5576016
73.0439158 73.2041165 73.3878314 73.4516402 74.2697703
74.4392657 74.7973499 74.8721074 75.4999759 76.1229659
76.2140992 76.6762274 77.0212160 77.6225138 77.8730773
79.0804700 79.8470047 80.6470865 80.8797776 81.3106627
81.7464042 81.8490904 82.4847098 83.0862490 83.9543178
84.5996771 84.9054398 85.3026905 85.9452755 86.2672695
86.7128804 87.3465431 88.3208240 88.3684063 89.2820942
89.9036317 90.1108184 91.3351261 91.6764553 92.3133217
92.7467171 93.2769860 94.1431875 95.1643506 95.8424335
97.1175162 99.3342245 100.6404286 102.9713907 103.1465813
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034275 0.0034313 0.0034329 0.0034357 0.0034429
0.0034474 4.4335160 23.6919588 27.0532208 28.2757101
31.5138805 32.7042910 39.9361751 45.5675578 49.5485755
53.2220083 55.0254102 57.6864223 60.4308239 61.6294546
67.3699831 71.9707590 80.2391735 82.8097863 85.0618334
85.6459746 87.9586342 93.1563583 93.7961744 96.9513036
98.9399363 100.7489871 103.9881580 105.9964314 109.7788569
112.3152015 113.6900874 118.9343502 124.2257431 131.0196483
132.3123130 134.1030553 135.9777413 139.3332672 141.1197565
144.6881318 145.7116916 147.3234667 149.4327942 153.7776109
154.1644767 159.1643521 162.8092825 164.6955737 167.9171917
171.9884715 172.6414532 176.3442879 179.5662705 181.4251183
183.8020276 186.7252647 188.7709030 190.3622342 192.6003657
195.1945699 196.4702588 199.9438310 201.1656913 202.8421114
208.5651161 209.4501218 212.2261658 213.4512055 217.6320663
220.9921767 221.9246790 222.9066262 225.3166776 227.8192214
230.3027147 232.6890039 234.8811738 239.2579882 239.7938093
241.3176745 242.1214088 244.0810927 246.7215362 248.5667508
250.2940954 251.6702584 253.1844608 254.6971582 258.0466761
260.2506521 261.3367630 263.9242225 266.6909746 267.1168410
269.9651936 273.3195434 273.8785376 277.1479138 279.3069984
281.4682076 282.3591055 285.5051376 287.8379495 288.4591598
290.6099864 291.9008546 294.5350622 294.8844064 296.9823672
298.4208622 302.0564137 302.4482203 305.9088341 306.8636953
309.6333835 312.3271142 313.5049214 315.7987728 316.7640716
320.4401680 321.5430474 323.6201107 324.1855491 325.7312884
328.6207805 329.5060327 331.3967536 333.9099601 335.9700266
336.5448390 340.0945536 340.6149040 341.9426765 342.8961708
344.0834123 347.2340031 349.1873010 350.4944062 351.4681679
353.5183441 355.0843904 355.3562112 357.7040918 358.6074726
362.4487446 364.7339705 366.1323558 367.0198711 368.2470276
371.6442653 373.6289594 376.8406058 377.4036864 378.0079246
378.9070087 382.7974191 385.0782368 385.3066373 387.7609825
389.3095857 391.2786387 392.4754583 396.0504844 398.5659976
399.0044713 402.6953689 402.9306510 403.8951493 404.6002459
405.3641528 406.1381249 408.7460451 410.2412553 412.4037746
412.5059600 414.7176261 415.4965848 416.3880971 417.8257824
418.8852904 420.7300790 422.3681354 423.3285455 426.7699265
427.0520661 428.3284913 429.9039043 431.5258286 434.6759224
435.6257303 436.4984942 438.7218158 439.6715621 442.1243997
443.6611958 444.3468948 445.6571120 447.8680057 448.9108246
450.9023215 452.4201856 453.4549275 454.4317260 455.4185007
458.5875332 460.0226159 461.2952722 461.9058007 463.2519432
465.6997307 468.6722083 470.3697296 471.0132359 472.0792836
473.9707826 476.1695035 478.3390217 479.1953256 480.6318298
481.2894365 481.3998005 483.8125349 485.6512859 486.9172234
488.8989192 490.6245777 492.7287789 494.0595390 494.3256086
495.5853544 496.2232857 498.9410046 501.8557760 502.1644078
504.6368910 506.3367554 507.1304003 508.5853887 510.4604682
510.6567803 512.8411467 514.1825591 514.7130498 516.6156050
518.3382655 519.2732025 520.3304727 521.8368163 522.2161000
523.3768701 523.9591370 527.2198741 527.6296926 528.3050487
530.8334053 531.0981168 532.6803870 533.5898197 534.7621225
537.6834200 537.9695257 539.3988164 540.3944533 542.3219960
542.9742757 543.8964368 544.5582658 546.2422146 547.3882465
548.7799872 550.3840196 550.5739666 551.2225733 553.0487606
555.3468928 556.4665121 557.2796342 558.1290061 559.0154948
560.3887667 561.0826264 562.0750583 562.8387542 564.1002890
566.3065468 566.9720963 569.3858878 570.1602775 570.8000543
571.2387738 572.2534613 573.3810840 574.6617686 576.0278165
576.8060963 578.1199724 579.8986857 580.4202844 581.8974968
582.7185682 584.1896025 586.3506934 587.8599079 588.7135569
589.7499326 590.9889573 592.1561514 594.0278458 595.5562291
596.8763154 597.2675082 599.0384136 601.1052023 601.8920493
603.7784285 604.0321155 604.8276259 605.9460201 606.6624913
607.7076500 609.3992476 611.0207121 611.4006200 612.3251963
613.2318747 615.0867412 617.1729355 618.0512841 619.6209547
622.3836524 622.7943346 624.5260464 626.5452632 628.5457355
630.1315164 631.5721981 633.3966192 635.2343092 635.9973637
637.9937879 638.3997985 639.6940936 640.7038927 642.1777772
643.8664303 644.5758823 645.9793159 648.4118418 648.7151961
650.2649426 652.4362928 652.6615937 654.6078184 656.0661762
656.5534960 658.4203399 659.9543605 660.5172322 662.1691930
663.1038989 663.5558564 665.6629390 666.4872197 667.8653481
670.3169597 670.8127645 672.2190596 673.7035225 674.4981188
676.1583159 676.2183983 678.3576490 679.3713526 680.4266400
680.6166559 682.7754431 683.6003846 685.2215163 687.1230977
688.8356136 689.6341891 690.4406412 691.5603468 692.3593836
695.1976416 695.5091091 697.5000560 699.1521981 701.4209149
702.1146497 703.9578510 704.8468963 707.2104534 707.6895182
709.6948833 710.7356844 711.2229813 713.9851036 715.2747191
717.7561779 718.3877317 718.9896689 720.5683452 722.8066350
724.6205320 725.3095704 728.1583816 729.3499937 730.1764230
732.1787913 732.8815142 734.2363103 734.9659193 737.1265144
737.9475179 738.6853609 742.2882758 742.9773608 743.2653627
745.9402384 746.9441956 748.1309899 749.4361332 750.7855794
751.8744742 752.7077476 753.7654321 755.6849142 757.1959398
757.8829801 760.5830219 761.5096710 762.0954338 764.2011300
765.6178411 766.3621155 769.7464907 770.7279351 771.4345539
773.1251805 773.7068589 775.5346370 776.7472917 778.9531365
779.5753329 780.3066287 783.6234922 783.9006883 785.1785657
785.9264805 787.8495201 790.1177063 792.0976692 792.4715070
794.3821957 795.3803649 796.1026970 797.3648487 798.6717304
801.8520202 804.5842186 805.6874843 806.3208426 807.3210081
807.5730083 809.8935792 812.1969799 812.5866254 814.8359734
815.7922089 816.4927523 818.2454888 820.0403512 821.3466337
822.4086986 823.9024836 826.4536601 827.6811101 829.8059892
830.2922321 831.9043619 832.7383756 833.6037654 835.0044004
836.0205596 839.9453989 841.1329155 842.6391535 843.0578991
847.0485254 848.6038174 851.1131877 851.4564490 854.2165075
856.7702939 858.6625449 859.2170026 860.1828802 864.5009602
866.2429467 866.7318872 868.7731221 870.9011717 872.1038113
872.3102237 874.0694124 875.7668676 879.5979525 879.9808441
881.3566562 883.4825978 884.4971822 890.3087105 894.1635542
896.1837173 898.6167708 901.0654348 902.5236665 904.9236919
905.3172852 907.0326708 909.7984077 913.8149610 916.1864255
916.8497887 917.4462073 920.5433121 921.9616905 924.9893654
928.0840390 929.1012235 930.2663411 930.6706744 935.8393894
936.9066479 939.1574019 939.6266134 943.5581863 947.4430854
948.0100488 950.8798592 953.0166004 956.7294265 958.2723314
965.6725827 970.3414752 975.1908585 976.5967044 979.1946471
981.8148794 982.4313417 986.2386212 989.8282777 994.9856077
998.8025283 1000.6058512 1002.9439086 1006.7144084 1008.5984733
1011.2000600 1014.8880550 1020.5324916 1020.8073576 1026.0711212
1029.6364254 1030.8221623 1037.8012669 1039.7386463 1043.3438717
1045.7901650 1048.7754981 1053.6338858 1059.3328123 1063.1001916
1070.1485409 1082.2927099 1089.3853210 1101.9288900 1102.8658761
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404250248312395522.eigenfacs
Openam> file on opening on unit 10:
2404250248312395522.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404250248312395522.atom
Openam> file on opening on unit 11:
2404250248312395522.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: 9.9622E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9842E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9936E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0010E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0052E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0078E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6669E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.7600E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.2065E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.7801E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 8.4220E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 9.0702E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1353
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1761
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2402
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2568
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2822
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3097
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3849
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4393
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5460
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5815
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6136
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6220
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6561
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7359
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7971
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8301
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9170
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9528
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.022
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.096
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.200
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.309
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.485
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.525
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.568
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.646
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.689
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.801
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.841
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.894
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.005
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.015
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.148
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.248
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.300
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.391
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.508
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.528
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.637
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.734
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.791
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.022
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.073
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.231
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.273
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.390
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.432
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.489
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.689
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.720
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.820
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.864
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.017
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.177
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.214
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.401
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.498
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.592
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.678
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.854
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.876
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4.938
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 4.971
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.052
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.162
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.240
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.313
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.371
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.436
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.501
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.647
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.744
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.792
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 5.907
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.051
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.181
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.335
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.361
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.514
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.616
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.718
%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 : 0.001667
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= 0.097 for 194 C-alpha atoms.
Bfactors> = 60.631 +/- 396.20
Bfactors> = 41.664 +/- 11.38
Bfactors> Shiftng-fct= -18.968
Bfactors> Scaling-fct= 0.029
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404250248312395522 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=0
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=100
2404250248312395522.eigenfacs
2404250248312395522.atom
making animated gifs
11 models are in 2404250248312395522.7.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 2404250248312395522.7.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 2404250248312395522.7.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 2404250248312395522 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=0
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=100
2404250248312395522.eigenfacs
2404250248312395522.atom
making animated gifs
11 models are in 2404250248312395522.8.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 2404250248312395522.8.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 2404250248312395522.8.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 2404250248312395522 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=0
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=100
2404250248312395522.eigenfacs
2404250248312395522.atom
making animated gifs
11 models are in 2404250248312395522.9.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 2404250248312395522.9.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 2404250248312395522.9.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 2404250248312395522 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=0
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=100
2404250248312395522.eigenfacs
2404250248312395522.atom
making animated gifs
11 models are in 2404250248312395522.10.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 2404250248312395522.10.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 2404250248312395522.10.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 2404250248312395522 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=0
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=100
2404250248312395522.eigenfacs
2404250248312395522.atom
making animated gifs
11 models are in 2404250248312395522.11.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 2404250248312395522.11.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 2404250248312395522.11.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 2404250248312395522 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=0
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=100
2404250248312395522.eigenfacs
2404250248312395522.atom
making animated gifs
11 models are in 2404250248312395522.12.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 2404250248312395522.12.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 2404250248312395522.12.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 2404250248312395522 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=0
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=100
2404250248312395522.eigenfacs
2404250248312395522.atom
making animated gifs
11 models are in 2404250248312395522.13.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 2404250248312395522.13.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 2404250248312395522.13.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 2404250248312395522 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=0
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=100
2404250248312395522.eigenfacs
2404250248312395522.atom
making animated gifs
11 models are in 2404250248312395522.14.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 2404250248312395522.14.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 2404250248312395522.14.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 2404250248312395522 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=0
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=100
2404250248312395522.eigenfacs
2404250248312395522.atom
making animated gifs
11 models are in 2404250248312395522.15.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 2404250248312395522.15.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 2404250248312395522.15.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 2404250248312395522 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=-20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=0
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=20
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=40
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=60
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=80
2404250248312395522.eigenfacs
2404250248312395522.atom
calculating perturbed structure for DQ=100
2404250248312395522.eigenfacs
2404250248312395522.atom
making animated gifs
11 models are in 2404250248312395522.16.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 2404250248312395522.16.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 2404250248312395522.16.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
2404250248312395522.10.pdb
2404250248312395522.11.pdb
2404250248312395522.12.pdb
2404250248312395522.13.pdb
2404250248312395522.14.pdb
2404250248312395522.15.pdb
2404250248312395522.16.pdb
2404250248312395522.7.pdb
2404250248312395522.8.pdb
2404250248312395522.9.pdb
STDERR:
real 0m2.799s
user 0m2.791s
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: 2404250248312395522.Chkmod.res: No such file or directory
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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
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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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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