*** ***
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 = 2404111555113701030.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 2404111555113701030.atom to be opened.
Openam> File opened: 2404111555113701030.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 = 183
First residue number = 97
Last residue number = 291
Number of atoms found = 183
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 125.163541 +/- 9.517964 From: 104.174000 To: 144.873000
= -28.749956 +/- 8.024633 From: -46.624000 To: -8.704000
= -263.893115 +/- 9.695327 From: -284.180000 To: -243.328000
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 5.9937 % Filled.
Pdbmat> 9049 non-zero elements.
Pdbmat> 884 atom-atom interactions.
Pdbmat> Number per atom= 9.66 +/- 3.21
Maximum number = 17
Minimum number = 2
Pdbmat> Matrix trace = 17680.0
Pdbmat> Larger element = 68.6172
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 183 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) = 549
Diagstd> Number of non-zero elements 9049
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 17680.0000005
%Diagstd-Wn: Nb on non-zero elements there: 549
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 549 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 17680.0000005
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0069775
0.0577714 0.0707543 0.0944929 0.0963229 0.1263877
0.1500513 0.1800181 0.2030629 0.3055619 0.3313435
0.3592520 0.3917205 0.4217197 0.4936094 0.5044969
0.5672368 0.6343453 0.7219581 0.8056807 0.8714755
0.9054301 0.9335930 0.9551761 1.0061280 1.0417746
1.0570149 1.1409129 1.1987184 1.2384896 1.3096536
1.4082380 1.4854388 1.5506062 1.6535199 1.6962123
1.7122319 1.7475317 1.8418120 1.8925620 1.9692990
2.1145011 2.1327170 2.2673323 2.2785101 2.3524084
2.4462124 2.4952166 2.5976737 2.6511136 2.7586194
2.7832067 2.9354397 3.0506658 3.1761454 3.2414270
3.3458367 3.4076973 3.4871865 3.5326498 3.6785133
3.7239152 3.8454177 3.9070706 3.9816048 4.0384086
4.2085780 4.2338466 4.3320814 4.3600296 4.4638225
4.5706330 4.6600310 4.7589637 4.7995574 4.9232655
4.9760538 5.1715366 5.2615030 5.3570823 5.4995489
5.5231147 5.6077587 5.7226478 5.8634555 5.8858811
5.9182683 5.9985867 6.1261741 6.1807238 6.3437929
6.3948825 6.5754897 6.5977134 6.7001369 6.7746151
6.8259117 6.8303624 6.9736818 7.0891670 7.1771268
7.2591359 7.4330363 7.4659954 7.6611865 7.7457849
7.8307164 8.0288760 8.1422102 8.3579624 8.3772642
8.5125196 8.5200296 8.6341161 8.8105899 8.9066544
9.0120299 9.1238985 9.1396357 9.4110636 9.6716619
9.8126735 9.8364409 9.9246477 9.9919928 10.0503394
10.0871053 10.3516282 10.4354938 10.5255638 10.7109959
10.9009476 11.0156328 11.1618508 11.2158942 11.3749529
11.4993742 11.6029871 11.7710478 12.0257617 12.0711987
12.1292899 12.2053749 12.4533821 12.5484051 12.6885562
12.8293514 12.9338034 12.9532591 13.0868264 13.2008943
13.4088696 13.6598279 13.7531514 13.8918408 13.9237141
13.9684076 14.1021724 14.2434232 14.3981215 14.4941439
14.6045918 14.6585735 14.7443670 14.9670541 15.1204873
15.1689969 15.2321271 15.4476158 15.5581782 15.6320744
15.8345220 15.9950016 16.0682657 16.1935191 16.2650775
16.4148170 16.4978151 16.5209078 16.6620205 16.8168579
17.0782831 17.1303308 17.2598799 17.4793202 17.5588679
17.6065841 17.7214471 17.9233955 18.1580836 18.2090317
18.3372573 18.5729334 18.7088724 18.7186807 18.8716323
18.9519703 19.0603523 19.1464472 19.2161718 19.3324663
19.4761647 19.5884537 19.7703293 19.9515734 20.0433245
20.0992175 20.3774470 20.4691034 20.6318796 20.7564572
20.9312139 21.0454495 21.1928024 21.3407346 21.4207821
21.5367300 21.6464219 21.6878034 21.8489220 21.8920132
21.9505897 22.2726276 22.3647874 22.4228230 22.6359838
22.6776723 22.8607190 22.8956803 23.0516658 23.1809697
23.2581606 23.3918879 23.4998005 23.5595285 23.6229843
23.7635419 23.7981544 23.8861087 24.0033204 24.1603103
24.2916284 24.3537041 24.4342263 24.5637679 24.6955972
24.8244011 24.9412599 25.0769585 25.0858794 25.2225656
25.3583799 25.4030113 25.4504201 25.5939736 25.6943788
25.7624775 25.9049890 26.0627421 26.1498573 26.3060274
26.3887642 26.5294811 26.6289192 26.6995434 26.8489259
26.9681518 27.2579420 27.2991198 27.4097314 27.5037716
27.6721501 27.7564113 27.9340096 27.9892483 28.1255163
28.1768020 28.3119251 28.4005105 28.7735761 28.8139162
29.0391783 29.2335188 29.2975158 29.3439162 29.5074200
29.7246925 29.8533174 29.9230780 30.0195411 30.2065220
30.3704728 30.5311776 30.6158812 30.7849224 30.9567397
31.1020310 31.3872139 31.4541332 31.5417896 31.7172608
31.8855767 32.0717950 32.3081513 32.4449335 32.5582070
32.6514789 33.0203878 33.1887277 33.3247311 33.5434402
33.6185454 33.7430811 34.1103780 34.1660973 34.2462435
34.3404829 34.4679234 34.6391262 34.8158251 34.8489328
35.2243748 35.2773801 35.4538277 35.6438136 35.7706759
35.8379713 35.9555616 36.1073988 36.2114778 36.3248981
36.3312130 36.7050005 36.7901006 37.0791590 37.1315033
37.3889515 37.5038263 37.5540710 37.8816608 37.9275950
38.0670442 38.2569558 38.4431076 38.7586435 38.8980230
39.1176546 39.1779080 39.4929961 39.6210927 39.9504085
40.0292180 40.1735184 40.4256813 40.6109496 40.7254329
40.8828458 41.1471170 41.2099969 41.3623664 41.6404526
41.7738636 41.9228907 42.1215378 42.2092480 42.2719129
42.6378198 42.9946372 43.1586336 43.4431299 43.6561358
43.8838860 43.9133154 44.2360419 44.3272407 44.4836864
44.6014512 45.0171121 45.1623089 45.3379395 45.4695437
45.5651028 45.7610361 46.0941178 46.2396510 46.4912194
46.5836507 46.6728304 46.7905658 46.8287437 47.2011809
47.3181851 47.5860678 47.7604394 47.9632639 48.1391075
48.3078587 48.4576746 48.7545163 48.9034968 48.9823485
49.1797553 49.6363899 49.8738325 50.0296406 50.1322685
50.3710242 50.6566227 50.7453679 50.8049457 51.1100103
51.2571200 51.4367495 51.6325234 52.0440219 52.0975220
52.1852275 52.3434882 52.6486908 52.7409874 52.9278508
53.1519034 53.4434932 53.5804393 53.8514802 53.9291008
54.3023562 54.5462229 54.6971247 54.9803974 55.1313560
55.2060414 55.4280919 55.5897899 55.8828201 56.1881170
56.3382162 56.5452658 56.7967176 56.8420673 57.1932922
57.7323355 57.9278554 58.0287891 58.4643940 58.5276944
58.8577897 58.9258713 59.0610253 59.5325263 59.7858050
60.0389809 60.3199409 60.4499262 60.5488972 60.8383512
61.2222415 61.5673400 61.7494466 62.2287159 62.5671089
62.6842797 62.8540712 62.9966112 63.6626719 63.8410335
63.9165189 64.4526263 64.5326071 64.7930423 65.1408681
65.1826448 65.6464299 66.2227269 66.6388613 66.8768560
67.0755494 67.2372596 67.6848087 68.1671390 68.3533898
68.7132358 68.8662544 69.3069737 69.4489828 69.9625186
70.2905347 70.7301523 71.2494201 71.4477122 71.7023028
72.7252535 72.9757922 73.1553482 73.5697545 73.8980025
73.9596894 74.4712623 75.0987347 75.2905440 75.8389732
76.3655403 77.1908098 77.3331980 78.4871330 78.8204779
79.7771867 80.1786949 80.4341529 80.7265292 81.2237898
81.8232728 82.2936964 82.9755239 83.7007109 83.9578395
84.1519893 84.2755074 84.6128395 85.3900328 86.3332574
86.7029165 87.1347804 87.7242740 88.7402651 90.0219884
90.1938859 90.5253747 91.1302183 91.6139674 91.7857340
93.0805183 93.6326851 95.3828673 95.6244057 96.0222562
97.4698502 100.7868414 102.1170334 103.6120102
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034231 0.0034267 0.0034277 0.0034319 0.0034343
0.0034364 0.0034374 0.0034390 0.0034419 9.0707996
26.1006808 28.8849594 33.3806604 33.7023471 38.6053629
42.0644404 46.0737293 48.9339832 60.0267590 62.5078407
65.0870903 67.9647007 70.5191727 76.2934043 77.1302106
81.7857186 86.4884540 92.2680380 97.4712986 101.3731337
103.3291227 104.9238143 106.1297137 108.9235799 110.8363364
111.6441174 115.9902622 118.8923382 120.8485557 124.2720608
128.8645037 132.3496093 135.2215880 139.6368349 141.4279960
142.0942719 143.5515262 147.3730002 149.3895906 152.3881185
157.9062214 158.5849239 163.5132199 163.9157779 166.5526858
169.8409314 171.5336794 175.0199590 176.8110699 180.3603937
181.1623759 186.0509361 189.6673591 193.5287389 195.5074926
198.6312833 200.4591052 202.7836183 204.1012068 208.2722672
209.5536206 212.9448008 214.6450671 216.6827592 218.2229446
222.7732132 223.4409853 226.0182907 226.7461893 229.4292259
232.1578953 234.4173126 236.8925896 237.9007855 240.9472148
242.2355123 246.9477535 249.0865011 251.3387428 254.6588734
255.2039024 257.1520198 259.7728683 262.9493479 263.4517100
264.1755405 265.9620988 268.7756659 269.9696524 273.5078383
274.6069761 278.4577639 278.9279291 281.0846421 282.6425820
283.7106330 283.8031117 286.7651313 289.1298192 290.9179971
292.5753566 296.0590958 296.7147531 300.5683850 302.2233374
303.8757383 307.6965709 309.8606560 313.9391564 314.3014516
316.8285739 316.9683008 319.0834091 322.3278070 324.0802624
325.9917373 328.0088056 328.2915639 333.1306830 337.7114869
340.1644736 340.5761834 342.0998068 343.2585288 344.2592706
344.8883767 349.3812641 350.7936975 352.3043163 355.3940949
358.5315725 360.4126335 362.7967496 363.6739830 366.2436333
368.2412058 369.8964689 372.5656762 376.5750798 377.2858173
378.1925491 379.3768632 383.2118557 384.6710879 386.8132877
388.9534517 390.5336025 390.8272222 392.8370597 394.5453759
397.6411894 401.3450339 402.7136895 404.7391165 405.2031649
405.8529719 407.7916139 409.8287949 412.0483675 413.4200778
414.9922556 415.7584979 416.9733955 420.1104119 422.2582804
422.9350823 423.8142523 426.8015723 428.3262109 429.3422100
432.1134249 434.2975948 435.2910949 436.9843653 437.9488077
439.9601110 441.0709923 441.3795770 443.2605827 445.3153936
448.7633536 449.4466572 451.1429393 454.0017729 455.0336734
455.6515308 457.1354189 459.7327311 462.7328018 463.3815166
465.0101895 467.9888774 469.6984067 469.8215117 471.7370791
472.7401230 474.0899419 475.1594592 476.0238551 477.4621076
479.2333129 480.6128272 482.8388778 485.0470359 486.1610471
486.8384319 490.1964546 491.2976544 493.2472561 494.7341553
496.8124700 498.1663441 499.9072953 501.6490139 502.5889566
503.9473454 505.2290795 505.7117733 507.5867620 508.0870554
508.7663466 512.4848226 513.5440096 514.2098892 516.6482555
517.1237902 519.2066222 519.6034861 521.3704798 522.8306990
523.7004692 525.2038692 526.4139234 527.0824762 527.7918276
529.3596882 529.7450646 530.7230894 532.0236531 533.7606260
535.2092298 535.8926407 536.7778367 538.1988590 539.6411350
541.0465978 542.3185679 543.7918709 543.8885862 545.3683251
546.8346578 547.3156679 547.8261490 549.3689872 550.4455203
551.1744701 552.6968463 554.3771654 555.3029004 556.9585999
557.8337759 559.3191106 560.3663531 561.1089521 562.6764494
563.9243820 566.9461514 567.3742247 568.5225172 569.4969556
571.2375298 572.1065733 573.9339556 574.5011434 575.8979488
576.4227731 577.8032506 578.7064914 582.4949989 582.9031805
585.1772614 587.1321030 587.7744160 588.2396810 589.8762346
592.0439745 593.3235405 594.0163683 594.9730644 596.8231240
598.4406096 600.0218390 600.8535930 602.5100726 604.1891030
605.6052833 608.3754263 609.0236267 609.8716503 611.5656959
613.1862652 614.9742255 617.2361226 618.5413307 619.6201330
620.5070334 624.0025512 625.5911293 626.8716177 628.9253220
629.6290240 630.7941372 634.2179743 634.7357605 635.4798004
636.3535615 637.5332502 639.1146082 640.7426400 641.0472207
644.4911036 644.9758332 646.5868160 648.3169288 649.4696383
650.0802754 651.1459127 652.5193305 653.4590919 654.4816619
654.5385493 657.8969867 658.6592081 661.2416754 661.7082455
663.9982328 665.0174933 665.4628135 668.3589769 668.7640706
669.9923727 671.6615460 673.2936579 676.0511636 677.2656426
679.1749886 679.6978580 682.4256177 683.5314542 686.3662060
687.0428638 688.2801023 690.4368370 692.0171418 692.9918624
694.3298549 696.5703522 697.1023888 698.3899300 700.7336943
701.8553302 703.1061405 704.7699683 705.5033618 706.0268714
709.0759822 712.0367750 713.3934601 715.7408975 717.4934262
719.3625407 719.6037100 722.2431153 722.9872347 724.2619428
725.2200043 728.5914922 729.7655351 731.1831419 732.2435896
733.0126293 734.5869428 737.2555218 738.4184746 740.4244460
741.1601161 741.8692146 742.8043332 743.1073106 746.0564898
746.9805944 749.0920533 750.4632627 752.0550726 753.4324088
754.7518287 755.9212688 758.2330426 759.3906359 760.0026076
761.5325346 765.0597847 766.8874871 768.0844481 768.8718465
770.7005540 772.8823620 773.5590710 774.0130378 776.3333885
777.4498437 778.8109308 780.2916431 783.3948386 783.7973911
784.4568704 785.6454703 787.9325979 788.6229448 790.0187702
791.6891460 793.8577677 794.8742266 796.8821574 797.4562564
800.2111849 802.0060078 803.1146139 805.1915669 806.2962085
806.8421606 808.4631778 809.6415665 811.7726918 813.9870941
815.0735995 816.5699714 818.3835649 818.7102217 821.2357150
825.0966879 826.4926687 827.2123967 830.3114113 830.7607857
833.1002310 833.5819206 834.5373362 837.8618887 839.6423218
841.4182669 843.3847307 844.2929599 844.9838318 847.0011463
849.6692348 852.0605839 853.3197850 856.6249113 858.9508706
859.7547820 860.9183941 861.8940336 866.4384387 867.6513257
868.1641279 871.7974400 872.3381896 874.0966714 876.4397195
876.7207178 879.8341945 883.6877000 886.4598372 888.0413822
889.3596049 890.4310227 893.3895806 896.5671320 897.7911269
900.1512328 901.1529560 904.0318848 904.9575859 908.2972472
910.4240125 913.2666044 916.6128627 917.8874748 919.5213813
926.0573909 927.6511544 928.7916900 931.4186584 933.4942131
933.8837521 937.1079838 941.0475976 942.2485936 945.6741169
948.9514518 954.0652520 954.9447937 962.0430641 964.0838595
969.9171506 972.3548210 973.9026028 975.6710537 978.6714181
982.2763856 985.0960220 989.1685094 993.4816586 995.0064760
996.1562723 996.8870818 998.8802245 1003.4572396 1008.9841498
1011.1419611 1013.6570632 1017.0801338 1022.9529075 1030.3139525
1031.2971784 1033.1905991 1036.6364745 1039.3842359 1040.3581483
1047.6704069 1050.7732766 1060.5483366 1061.8903027 1064.0970358
1072.0879867 1090.1774582 1097.3479968 1105.3513095
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404111555113701030.eigenfacs
Openam> file on opening on unit 10:
2404111555113701030.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404111555113701030.atom
Openam> file on opening on unit 11:
2404111555113701030.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 = 183
First residue number = 97
Last residue number = 291
Number of atoms found = 183
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: 9.9370E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9580E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9638E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9879E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0014E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0020E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0029E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0046E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.9775E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.7771E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 7.0754E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 9.4493E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 9.6323E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1264
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1501
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1800
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2031
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3056
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3313
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3593
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4217
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4936
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5045
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6343
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7220
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8057
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8715
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9054
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9336
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9552
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.006
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.057
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.141
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.199
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.238
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.310
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.408
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.485
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.551
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.654
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.696
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.712
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.748
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.842
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.969
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.115
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.133
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.267
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.279
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.352
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.446
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.495
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.598
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.651
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.759
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.783
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.935
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.051
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.176
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.241
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.346
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.408
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.487
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.533
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.679
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.724
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.845
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.907
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.982
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.038
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.209
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.234
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.332
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.360
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.464
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.571
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.660
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.759
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.800
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.923
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4.976
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.172
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.262
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.357
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.500
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.523
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.723
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.886
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.918
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.999
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.181
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.344
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.395
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.575
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.598
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.700
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.826
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 549 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 9 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.006978
Bfactors> 97 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.178 for 183 C-alpha atoms.
Bfactors> = 23.384 +/- 115.18
Bfactors> = 27.127 +/- 13.78
Bfactors> Shiftng-fct= 3.743
Bfactors> Scaling-fct= 0.120
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404111555113701030 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=0
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=100
2404111555113701030.eigenfacs
2404111555113701030.atom
making animated gifs
11 models are in 2404111555113701030.7.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 2404111555113701030.7.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 2404111555113701030.7.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 2404111555113701030 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=0
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=100
2404111555113701030.eigenfacs
2404111555113701030.atom
making animated gifs
11 models are in 2404111555113701030.8.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 2404111555113701030.8.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 2404111555113701030.8.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 2404111555113701030 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=0
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=100
2404111555113701030.eigenfacs
2404111555113701030.atom
making animated gifs
11 models are in 2404111555113701030.9.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 2404111555113701030.9.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 2404111555113701030.9.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 2404111555113701030 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=0
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=100
2404111555113701030.eigenfacs
2404111555113701030.atom
making animated gifs
11 models are in 2404111555113701030.10.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 2404111555113701030.10.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 2404111555113701030.10.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 2404111555113701030 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=0
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=100
2404111555113701030.eigenfacs
2404111555113701030.atom
making animated gifs
11 models are in 2404111555113701030.11.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 2404111555113701030.11.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 2404111555113701030.11.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 2404111555113701030 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=0
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=100
2404111555113701030.eigenfacs
2404111555113701030.atom
making animated gifs
11 models are in 2404111555113701030.12.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 2404111555113701030.12.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 2404111555113701030.12.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 2404111555113701030 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=0
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=100
2404111555113701030.eigenfacs
2404111555113701030.atom
making animated gifs
11 models are in 2404111555113701030.13.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 2404111555113701030.13.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 2404111555113701030.13.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 2404111555113701030 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=0
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=100
2404111555113701030.eigenfacs
2404111555113701030.atom
making animated gifs
11 models are in 2404111555113701030.14.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 2404111555113701030.14.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 2404111555113701030.14.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 2404111555113701030 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=0
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=100
2404111555113701030.eigenfacs
2404111555113701030.atom
making animated gifs
11 models are in 2404111555113701030.15.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 2404111555113701030.15.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 2404111555113701030.15.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 2404111555113701030 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=-20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=0
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=20
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=40
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=60
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=80
2404111555113701030.eigenfacs
2404111555113701030.atom
calculating perturbed structure for DQ=100
2404111555113701030.eigenfacs
2404111555113701030.atom
making animated gifs
11 models are in 2404111555113701030.16.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 2404111555113701030.16.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 2404111555113701030.16.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
2404111555113701030.10.pdb
2404111555113701030.11.pdb
2404111555113701030.12.pdb
2404111555113701030.13.pdb
2404111555113701030.14.pdb
2404111555113701030.15.pdb
2404111555113701030.16.pdb
2404111555113701030.7.pdb
2404111555113701030.8.pdb
2404111555113701030.9.pdb
STDERR:
real 0m2.443s
user 0m2.435s
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: 2404111555113701030.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
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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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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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