*** ***
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 = 2404110322003549768.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 2404110322003549768.atom to be opened.
Openam> File opened: 2404110322003549768.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 194
First residue number = 96
Last residue number = 289
Number of atoms found = 197
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.421934 +/- 9.201081 From: -18.707000 To: 21.574000
= -0.306279 +/- 7.582700 From: -19.718000 To: 15.803000
= 32.021919 +/- 10.740275 From: 12.786000 To: 54.094000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 5.6815 % Filled.
Pdbmat> 9939 non-zero elements.
Pdbmat> 973 atom-atom interactions.
Pdbmat> Number per atom= 9.88 +/- 3.24
Maximum number = 19
Minimum number = 4
Pdbmat> Matrix trace = 19460.0
Pdbmat> Larger element = 77.6609
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 197 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 591
Diagstd> Number of non-zero elements 9939
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 19460.0000006
%Diagstd-Wn: Nb on non-zero elements there: 591
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 591 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 19460.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0022078 0.0452410 0.0648756 0.0719441
0.0883705 0.0954337 0.1647508 0.1971715 0.2237144
0.2408550 0.2776163 0.2964706 0.3291817 0.3342302
0.3929472 0.4522654 0.5446123 0.6217018 0.6425553
0.6684701 0.7206409 0.7592201 0.8194642 0.8249855
0.8924630 0.9306148 0.9959964 1.0318530 1.0666936
1.1075148 1.2424606 1.2529079 1.3375518 1.4575264
1.5108181 1.5781382 1.6241968 1.7020161 1.7168601
1.7719642 1.8663603 1.9498973 1.9695865 2.0604258
2.0892327 2.2185365 2.2820471 2.3830577 2.4712780
2.5505216 2.6206088 2.6666116 2.8073463 2.8878321
2.9309193 2.9648651 2.9699801 3.0317885 3.1381172
3.1754533 3.2585298 3.3136023 3.5366481 3.5839877
3.6218912 3.7358077 3.7481178 3.8299450 3.9562215
3.9960329 4.1369017 4.2008478 4.2892519 4.4082976
4.4487877 4.4814547 4.5416381 4.5891337 4.7175555
4.8106220 4.9176688 5.0851668 5.1325115 5.2315486
5.2852195 5.3377367 5.3921358 5.4732685 5.5370993
5.6643283 5.7492045 5.8929848 5.9452264 5.9701184
6.0888621 6.1987101 6.3360596 6.3617755 6.4099243
6.4953834 6.6921941 6.8110840 6.9008741 7.0146630
7.0644980 7.0893393 7.2601711 7.3415019 7.5083712
7.5830494 7.6934679 7.9299955 7.9501745 8.0720782
8.1070767 8.1663893 8.3031448 8.4841634 8.6556607
8.6930952 8.7935617 8.8809389 8.9849285 9.0277451
9.1152958 9.2652370 9.3053757 9.3459732 9.4420445
9.5588808 9.5974442 9.7689767 9.8199404 9.9138829
9.9486508 10.0731339 10.2584412 10.3181301 10.4404560
10.6017711 10.6641709 10.7557861 11.0196130 11.0818839
11.1885801 11.2789597 11.4347712 11.6113383 11.7256442
11.8080444 11.9030782 12.0105877 12.0607347 12.2621635
12.3363884 12.3605731 12.5478759 12.7276319 12.8395063
12.8460193 12.9919844 13.1239225 13.2408395 13.2772749
13.3828453 13.4709500 13.7303359 13.8182377 13.9125904
14.1398421 14.2368473 14.4096202 14.4344608 14.5157888
14.6481455 14.7652381 14.9412959 15.0315301 15.1923717
15.2621228 15.2967117 15.3834339 15.5114559 15.6206283
15.7353572 15.7975631 15.9655780 16.1526486 16.1961718
16.2569585 16.3403014 16.4669017 16.5950722 16.7521189
16.8618545 16.9280494 16.9874478 17.0388760 17.1317021
17.2094420 17.3481343 17.4622611 17.5092883 17.5824224
17.7661858 17.8663868 17.9511137 18.1561554 18.4091076
18.4725990 18.6876001 18.7459865 18.7786483 18.8960546
19.1047821 19.1677195 19.3039360 19.3919783 19.5173819
19.5921944 19.8698740 19.9627111 20.0024461 20.1022576
20.3955464 20.4796498 20.6845952 20.8203453 20.8686699
21.0262965 21.0884477 21.2652197 21.4425869 21.5038598
21.5508054 21.6900232 21.7776892 21.8734920 21.9892326
22.1910489 22.4787071 22.6706285 22.7170381 22.7300519
22.8340004 22.9444476 22.9854830 23.1943489 23.2801006
23.3678892 23.5274431 23.6172582 23.6972660 23.7446320
23.8710469 23.9955126 24.0958985 24.1921526 24.2765302
24.4182236 24.4468153 24.5950554 24.8282431 24.8731054
25.0064170 25.1728395 25.2255496 25.2751102 25.4379782
25.4970094 25.5791204 25.6512961 25.8408175 25.9246967
26.0632299 26.2177860 26.3166300 26.3398891 26.5958553
26.6357579 26.7690472 26.8230254 27.0869095 27.2503464
27.3114359 27.4345124 27.4454761 27.5895180 27.6888662
27.8282100 27.9645876 28.0040923 28.1247741 28.2577901
28.3633551 28.4469505 28.6834184 28.7341087 28.8695370
28.9180919 29.0235930 29.2056071 29.2485014 29.3648157
29.4334092 29.5335259 29.8376378 29.9379737 30.1127629
30.2401241 30.4114116 30.5922452 30.6476696 30.7572028
30.7791275 30.9038157 30.9723713 31.2085381 31.6143761
31.6561692 31.7528723 31.8397631 31.9549645 32.1392753
32.1613126 32.2850250 32.3908029 32.6211307 32.6521738
33.0559026 33.0808890 33.1975057 33.2665141 33.5012362
33.6376484 33.8704530 33.9935007 34.1768587 34.2353748
34.3273481 34.4139394 34.6109547 34.7199717 34.8082613
35.1663395 35.2319333 35.2958542 35.4707580 35.6910927
35.8939693 35.9462989 36.2592140 36.3447291 36.4871929
36.5300274 36.7512454 36.9993320 37.0926907 37.3319667
37.4738381 37.7940764 37.8289702 38.0368929 38.1292938
38.4781376 38.5796026 38.7119487 38.8467446 39.0119681
39.2946721 39.4887202 39.6802521 39.7268487 39.7455734
39.9050096 40.0756651 40.3245117 40.3972644 40.4480433
40.6341480 40.8506241 40.8976047 40.9684432 41.2425320
41.4054848 41.5270897 41.7622004 41.8063504 41.9037882
42.3616059 42.4523978 42.5214729 42.5699712 42.8048313
42.8587430 43.2206501 43.5201421 43.5608992 43.7414614
43.9811928 44.0727829 44.2932259 44.4796370 44.7325506
44.8644339 44.9339331 45.2253535 45.5664517 45.7382812
45.9343875 46.1168823 46.1791950 46.4210780 46.5814411
46.9310057 46.9803260 47.0139402 47.1470177 47.4683260
47.6330854 47.9473215 48.1158651 48.2598811 48.3794345
48.6083341 48.7006552 48.7309951 48.9209779 49.0402756
49.0708288 49.4084265 49.5765876 49.7080178 50.0228737
50.1695228 50.3392979 50.4996248 50.6843219 50.8376054
51.1268587 51.3765933 51.4599622 51.4985717 51.6058666
51.6973112 51.8395074 51.9968134 52.1095125 52.2656208
52.4378116 52.7027834 53.0535821 53.1918909 53.4710396
53.6057481 53.9496552 54.0491275 54.3381904 54.4138543
54.5844282 54.8290254 55.1735132 55.1965041 55.5494078
55.7984963 55.9313541 56.0554754 56.1717191 56.5044861
56.6741966 56.7754563 57.0335483 57.1942831 57.3452886
57.5452098 57.7930865 57.8597775 58.0995292 58.3363105
58.4733078 58.6717091 58.8239123 58.9923776 59.3249309
59.5438803 59.8423452 59.9016231 60.2410190 60.6013904
60.8894179 61.2116131 61.7180783 61.7332680 61.9709730
62.5386731 62.7432494 62.8483956 63.1220460 63.3135001
63.3622426 63.7044247 64.0575489 64.5918438 64.6516539
64.6904828 65.0432423 65.1152420 65.3557006 65.6106697
65.8744243 66.1375020 66.3910799 66.8692912 66.9845413
67.3494610 67.3820142 68.0629422 68.4614175 68.7886401
69.1922710 69.5448373 69.8542903 70.2261352 70.4878712
70.8175512 70.9585915 71.4680871 71.7087257 72.1377042
72.6298985 72.6463713 72.8720250 73.1162973 73.2952516
73.4644488 74.0186952 74.5366930 74.8354243 75.2264691
75.2735215 75.7730984 76.1754481 77.0461714 77.4521624
77.5710316 78.1878552 78.5208750 78.9356872 79.4983589
80.0326801 80.6060903 80.8350859 81.6329192 81.8223219
82.6059111 82.9854464 83.9014315 84.2244523 84.5004208
84.6665095 84.9818520 85.7440729 86.5095332 87.4678421
87.7741441 88.2195667 88.8185123 89.1736398 89.8262784
90.3829039 91.1106603 91.8534946 92.4274060 93.4087886
93.7938504 94.9141861 95.8466364 96.3185107 98.1263150
100.7558779 101.5281626 102.2687657 103.1433815 105.3495966
110.8748926
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034249 0.0034281 0.0034297 0.0034324 0.0034399
0.0034459 5.1023541 23.0973090 27.6589697 29.1268124
32.2811433 33.5464155 44.0766997 48.2189079 51.3620422
53.2933652 57.2160371 59.1270359 62.3036018 62.7795434
68.0710419 73.0284297 80.1380936 85.6221930 87.0463436
88.7843206 92.1838241 94.6191718 98.3015291 98.6321354
102.5865420 104.7563235 108.3737669 110.3072870 112.1540929
114.2799514 121.0421377 121.5499689 125.5887068 131.1002431
133.4754430 136.4167806 138.3931523 141.6697457 142.2861851
144.5515502 148.3518713 151.6355919 152.3992417 155.8740341
156.9598922 161.7441460 164.0429531 167.6341733 170.7088690
173.4242344 175.7908963 177.3271223 181.9463181 184.5360620
185.9076284 186.9811159 187.1423369 189.0796250 192.3666835
193.5076517 196.0225938 197.6721438 204.2166756 205.5788979
206.6631183 209.8879654 210.2334891 212.5159575 215.9909624
217.0749987 220.8680429 222.5685277 224.8982407 227.9978410
229.0425230 229.8819042 231.4203474 232.6272751 235.8597262
238.1748473 240.8102223 244.8769355 246.0142390 248.3764475
249.6472545 250.8845135 252.1597078 254.0496823 255.5267891
258.4458061 260.3749248 263.6106425 264.7765264 265.3302407
267.9559156 270.3621829 273.3410805 273.8952188 274.9297455
276.7564028 280.9179841 283.4023176 285.2642388 287.6064926
288.6263213 289.1333326 292.5962172 294.2305336 297.5556145
299.0316956 301.2009604 305.7959644 306.1847876 308.5232954
309.1914108 310.3203951 312.9079425 316.3004364 319.4812633
320.1713735 322.0161756 323.6120776 325.5011991 326.2758454
327.8541332 330.5396375 331.2548425 331.9766563 333.6785592
335.7366897 336.4132397 339.4062354 340.2904079 341.9142267
342.5132473 344.6494460 347.8051175 348.8155047 350.8770917
353.5773946 354.6164091 356.1363956 360.4777395 361.4948191
363.2308841 364.6949943 367.2053671 370.0295607 371.8464465
373.1507070 374.6492985 376.3374258 377.1222560 380.2584132
381.4075610 381.7812403 384.6629765 387.4084456 389.1073572
389.2060344 391.4109989 393.3934355 395.1418609 395.6851527
397.2551259 398.5606260 402.3795135 403.6654778 405.0412734
408.3358968 409.7341799 412.2128705 412.5680218 413.7286548
415.6105872 417.2684111 419.7487524 421.0143272 423.2608198
424.2313427 424.7117942 425.9140092 427.6825799 429.1849950
430.7582294 431.6088387 433.8979551 436.4325695 437.0201565
437.8394891 438.9603689 440.6575613 442.3691719 444.4574128
445.9107568 446.7851591 447.5683302 448.2453072 449.4646464
450.4832779 452.2948766 453.7801756 454.3907977 455.3387747
457.7120862 459.0010159 460.0880768 462.7082321 465.9203160
466.7230840 469.4313034 470.1640625 470.5734763 472.0422236
474.6421741 475.4233441 477.1096656 478.1964397 479.7401437
480.6587149 484.0529117 485.1824033 485.6650317 486.8752489
490.4141049 491.4242041 493.8769904 495.4949629 496.0696590
497.9396072 498.6749890 500.7606758 502.8446915 503.5626263
504.1119974 505.7376529 506.7586588 507.8720828 509.2139784
511.5454144 514.8502694 517.0434731 517.5724289 517.7206568
518.9031200 520.1565646 520.6214979 522.9815565 523.9474204
524.9343867 526.7234410 527.7278567 528.6209884 529.1490269
530.5557347 531.9371184 533.0486443 534.1122481 535.0428779
536.6020327 536.9160992 538.5415088 541.0884639 541.5770918
543.0264881 544.8304650 545.4005838 545.9360948 547.6922245
548.3273416 549.2095541 549.9838508 552.0118546 552.9070430
554.3823532 556.0236800 557.0708296 557.3169490 560.0183545
560.4383029 561.8388119 562.4049839 565.1646747 566.8671544
567.5021971 568.7794577 568.8930983 570.3840034 571.4100395
572.8460417 574.2479977 574.6534665 575.8903506 577.2505795
578.3278164 579.1794433 581.5817022 582.0953705 583.4655105
583.9559621 585.0202076 586.8517443 587.2825403 588.4491233
589.1360039 590.1371155 593.1677065 594.1642009 595.8961544
597.1549883 598.8438168 600.6216133 601.1654440 602.2387531
602.4533624 603.6724178 604.3416257 606.6413268 610.5729897
610.9764344 611.9089268 612.7455897 613.8530953 615.6208499
615.8318738 617.0151730 618.0251337 620.2185989 620.5136364
624.3380314 624.5739493 625.6738551 626.3238186 628.5295442
629.8078850 631.9835630 633.1304863 634.8357153 635.3789516
636.2318515 637.0337989 638.8546643 639.8599994 640.6730348
643.9599563 644.5602479 645.1446926 646.7411804 648.7467607
650.5879631 651.0620340 653.8896649 654.6602896 655.9421008
656.3270133 658.3113012 660.5295049 661.3623224 663.4920369
664.7515650 667.5858898 667.8939961 669.7269831 670.5399554
673.6003464 674.4878881 675.6438022 676.8190837 678.2568845
680.7099753 682.3886731 684.0415647 684.4430822 684.6043649
685.9761085 687.4413465 689.5723495 690.1941258 690.6277723
692.2147661 694.0561846 694.4551721 695.0563424 697.3775148
698.7538559 699.7791979 701.7573448 702.1281872 702.9459340
706.7755027 707.5324985 708.1078846 708.5115891 710.4633436
710.9106088 713.9058290 716.3750185 716.7103862 718.1942513
720.1596459 720.9091163 722.7097870 724.2289771 726.2850611
727.3549125 727.9180648 730.2747174 733.0234796 734.4042818
735.9770046 737.4375535 737.9355946 739.8656952 741.1425383
743.9182462 744.3090395 744.5752663 745.6283179 748.1647435
749.4620330 751.9300751 753.2505013 754.3769400 755.3107642
757.0954718 757.8141013 758.0501186 759.5263501 760.4518683
760.6887208 763.3009308 764.5987711 765.6115961 768.0325013
769.1574752 770.4578018 771.6837517 773.0936402 774.2617831
776.4613371 778.3553805 778.9866445 779.2788196 780.0901928
780.7810388 781.8540919 783.0394535 783.8875836 785.0608802
786.3530210 788.3372649 790.9565674 791.9868938 794.0623311
795.0619343 797.6082126 798.3431884 800.4751715 801.0322937
802.2868297 804.0823760 806.6044237 806.7724635 809.3474394
811.1600025 812.1251257 813.0257490 813.8683088 816.2754684
817.5003864 818.2303739 820.0880357 821.2428291 822.3262458
823.7584245 825.5306929 826.0068709 827.7164509 829.4013912
830.3747054 831.7822528 832.8604381 834.0521966 836.3997622
837.9417832 840.0392581 840.4552129 842.8328125 845.3500342
847.3565511 849.5954788 853.1030170 853.2079908 854.8490587
858.7556580 860.1590904 860.8795238 862.7516803 864.0590865
864.3916249 866.7225167 869.1213904 872.7384722 873.1424435
873.4046030 875.7827184 876.2673092 877.8837651 879.5945215
881.3607311 883.1188889 884.8102532 887.9911553 888.7560581
891.1736612 891.3890085 895.8816470 898.5002946 900.6450000
903.2834907 905.5818884 907.5944317 910.0068564 911.7010973
913.8306764 914.7402169 918.0183435 919.5625647 922.3089833
925.4500831 925.5550256 926.9913875 928.5437589 929.6793837
930.7518162 934.2562090 937.5195662 939.3964029 941.8475648
942.1420708 945.2633146 947.7696317 953.1709803 955.6790243
956.4121039 960.2071381 962.2498353 964.7881874 968.2206967
971.4690311 974.9429625 976.3268484 981.1331371 982.2706781
986.9629350 989.2276515 994.6721669 996.5850729 998.2164350
999.1969692 1001.0560070 1005.5353308 1010.0137000 1015.5925033
1017.3691912 1019.9473183 1023.4038052 1025.4477277 1029.1933788
1032.3772499 1036.5252292 1040.7420980 1043.9883748 1049.5162087
1051.6772097 1057.9395286 1063.1235008 1065.7372844 1075.6922138
1090.0099842 1094.1794237 1098.1629502 1102.8487698 1114.5812137
1143.4360658
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404110322003549768.eigenfacs
Openam> file on opening on unit 10:
2404110322003549768.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404110322003549768.atom
Openam> file on opening on unit 11:
2404110322003549768.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 194
First residue number = 96
Last residue number = 289
Number of atoms found = 197
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9471E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9657E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9754E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9911E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0035E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0070E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.2078E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.5241E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.4876E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.1944E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 8.8370E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 9.5434E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1648
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2237
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2409
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2776
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2965
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3292
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3342
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3929
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4523
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5446
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6217
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6426
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6685
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7206
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7592
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8195
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8250
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8925
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9306
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9960
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.067
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.108
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.242
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.253
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.338
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.458
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.578
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.624
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.702
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.717
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.772
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.866
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.950
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.970
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.219
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.282
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.383
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.551
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.621
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.807
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.931
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.965
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 2.970
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.175
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.259
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.314
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.537
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.584
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.622
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.736
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.748
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.830
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 3.956
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 3.996
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.201
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.289
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.408
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.449
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.481
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.542
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.589
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4.811
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 4.918
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.085
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.133
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.232
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.285
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.338
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.392
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.473
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.537
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.664
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.749
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 5.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 5.945
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 5.970
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.199
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.336
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.410
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.495
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 591 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.002208
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= 0.147 for 197 C-alpha atoms.
Bfactors> = 47.654 +/- 302.13
Bfactors> = 41.035 +/- 12.57
Bfactors> Shiftng-fct= -6.619
Bfactors> Scaling-fct= 0.042
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404110322003549768 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=0
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=100
2404110322003549768.eigenfacs
2404110322003549768.atom
making animated gifs
11 models are in 2404110322003549768.7.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 2404110322003549768.7.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 2404110322003549768.7.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 2404110322003549768 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=0
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=100
2404110322003549768.eigenfacs
2404110322003549768.atom
making animated gifs
11 models are in 2404110322003549768.8.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 2404110322003549768.8.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 2404110322003549768.8.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 2404110322003549768 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=0
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=100
2404110322003549768.eigenfacs
2404110322003549768.atom
making animated gifs
11 models are in 2404110322003549768.9.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 2404110322003549768.9.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 2404110322003549768.9.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 2404110322003549768 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=0
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=100
2404110322003549768.eigenfacs
2404110322003549768.atom
making animated gifs
11 models are in 2404110322003549768.10.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 2404110322003549768.10.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 2404110322003549768.10.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 2404110322003549768 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=0
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=100
2404110322003549768.eigenfacs
2404110322003549768.atom
making animated gifs
11 models are in 2404110322003549768.11.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 2404110322003549768.11.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 2404110322003549768.11.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 2404110322003549768 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=0
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=100
2404110322003549768.eigenfacs
2404110322003549768.atom
making animated gifs
11 models are in 2404110322003549768.12.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 2404110322003549768.12.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 2404110322003549768.12.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 2404110322003549768 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=0
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=100
2404110322003549768.eigenfacs
2404110322003549768.atom
making animated gifs
11 models are in 2404110322003549768.13.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 2404110322003549768.13.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 2404110322003549768.13.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 2404110322003549768 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=0
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=100
2404110322003549768.eigenfacs
2404110322003549768.atom
making animated gifs
11 models are in 2404110322003549768.14.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 2404110322003549768.14.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 2404110322003549768.14.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 2404110322003549768 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=0
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=100
2404110322003549768.eigenfacs
2404110322003549768.atom
making animated gifs
11 models are in 2404110322003549768.15.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 2404110322003549768.15.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 2404110322003549768.15.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 2404110322003549768 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=-20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=0
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=20
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=40
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=60
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=80
2404110322003549768.eigenfacs
2404110322003549768.atom
calculating perturbed structure for DQ=100
2404110322003549768.eigenfacs
2404110322003549768.atom
making animated gifs
11 models are in 2404110322003549768.16.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 2404110322003549768.16.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 2404110322003549768.16.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
2404110322003549768.10.pdb
2404110322003549768.11.pdb
2404110322003549768.12.pdb
2404110322003549768.13.pdb
2404110322003549768.14.pdb
2404110322003549768.15.pdb
2404110322003549768.16.pdb
2404110322003549768.7.pdb
2404110322003549768.8.pdb
2404110322003549768.9.pdb
STDERR:
real 0m3.000s
user 0m2.992s
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: 2404110322003549768.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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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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