*** ***
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 = 2404111220353637058.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 2404111220353637058.atom to be opened.
Openam> File opened: 2404111220353637058.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 = 194
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.651835 +/- 9.289569 From: -18.713000 To: 21.675000
= 0.234562 +/- 7.614984 From: -19.122000 To: 16.223000
= 31.392696 +/- 10.813524 From: 11.966000 To: 53.399000
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 5.6091 % Filled.
Pdbmat> 9516 non-zero elements.
Pdbmat> 928 atom-atom interactions.
Pdbmat> Number per atom= 9.57 +/- 3.04
Maximum number = 17
Minimum number = 3
Pdbmat> Matrix trace = 18560.0
Pdbmat> Larger element = 77.3370
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 194 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) = 582
Diagstd> Number of non-zero elements 9516
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 18560.0000006
%Diagstd-Wn: Nb on non-zero elements there: 582
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 582 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 18560.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0016646 0.0474731 0.0616475 0.0662080
0.0834395 0.0905141 0.1345370 0.1761312 0.2012041
0.2332313 0.2481121 0.2791311 0.3051300 0.3208972
0.3793756 0.4375614 0.5307693 0.5719461 0.5988409
0.6189709 0.6430856 0.7264439 0.7432306 0.7903046
0.8075838 0.8608138 0.9002997 0.9464212 1.0194135
1.0591765 1.0778378 1.1944515 1.2886432 1.4438650
1.4784724 1.4956541 1.5547706 1.6315697 1.6768241
1.7165149 1.7727989 1.8312046 1.8522226 1.9744197
2.0030989 2.0142776 2.1714708 2.2115044 2.3367429
2.3742920 2.5158885 2.5510875 2.6406701 2.7419475
2.7783124 2.9116200 3.0028850 3.0330761 3.0495082
3.1203202 3.1942187 3.3269195 3.3894654 3.4430594
3.5235980 3.6926522 3.7714763 3.7885788 3.8423234
3.9122839 4.1187822 4.1691902 4.2429565 4.3204667
4.3658691 4.4740311 4.5663031 4.6813506 4.7948947
4.8539183 4.9613145 4.9699537 5.0242799 5.1018835
5.2216785 5.3308394 5.3776472 5.4128351 5.5334813
5.6527131 5.7426834 5.8513465 5.9259105 5.9752050
6.1154921 6.2388916 6.2930172 6.3527804 6.4564453
6.6100670 6.7131536 6.8220340 6.8996211 7.0406725
7.1264357 7.2209061 7.2408555 7.3566102 7.4249323
7.4709274 7.6547328 7.7067965 7.8447106 7.9075853
8.0161993 8.1693836 8.2226614 8.2896261 8.4216091
8.5267211 8.6724258 8.7321140 8.8747611 8.9516224
9.0015516 9.1189176 9.1328209 9.2095234 9.3541160
9.5119662 9.5310905 9.6271423 9.7306861 9.9208074
9.9652747 10.0124988 10.1158174 10.2236178 10.3146953
10.4425506 10.4750018 10.6258462 10.7001611 10.8428775
10.9349712 11.0720389 11.1167331 11.3715426 11.3845703
11.4470080 11.6126335 11.7739922 11.8650321 11.9935398
12.0504033 12.1674004 12.2036258 12.4763904 12.5599351
12.6288806 12.8447923 12.8710810 13.0587768 13.1901472
13.4056260 13.4757571 13.6564054 13.7703965 13.7824702
13.7941446 13.9273660 13.9961520 14.0515818 14.1770531
14.2357907 14.3894325 14.5311168 14.6325472 14.6940096
14.8038092 14.8497001 14.9818764 15.0819314 15.1739026
15.3688467 15.5059106 15.5641573 15.6307405 15.6856720
15.8620332 16.0599035 16.1765470 16.2216908 16.3520135
16.5222741 16.5629107 16.7335874 16.8195552 16.8423259
16.9867528 17.0909489 17.1226083 17.2925134 17.3647400
17.4843767 17.5445964 17.8180585 17.8834307 17.9709359
18.0626346 18.1438961 18.3216705 18.4161055 18.7049507
18.7732516 18.8859211 18.9298661 19.0984293 19.2274244
19.3232219 19.4691248 19.5582897 19.7047338 19.8408457
19.9758932 20.1125360 20.3078025 20.3858617 20.5604917
20.6697230 20.6937471 20.7706636 21.0667651 21.2082616
21.3073121 21.3986468 21.6356828 21.7138107 21.8105065
21.8935182 21.9810160 22.2724376 22.3051678 22.4407007
22.5443031 22.5895005 22.6793008 22.9061366 22.9543358
23.0359061 23.1643923 23.1840022 23.3619021 23.5343168
23.5941868 23.8359830 23.8894098 23.9533560 24.0993590
24.2605216 24.4962830 24.5296882 24.5574221 24.7585217
24.7934841 24.9507958 25.0125766 25.0933590 25.2292455
25.2707454 25.3940021 25.4106686 25.5342825 25.6433269
25.8053305 25.9594858 26.1161389 26.2571026 26.3543331
26.3849475 26.5047012 26.6658772 26.7285807 26.8355250
26.8738986 27.1313343 27.2379766 27.2830513 27.4753609
27.5716974 27.6225285 27.6830010 27.8172587 28.0461040
28.1970820 28.2273104 28.4364326 28.4963031 28.5379563
28.7809810 28.8137360 28.9684614 29.0460146 29.1876595
29.3030870 29.4562627 29.5069176 29.6644411 29.7836817
29.8697212 29.9587324 30.2268394 30.3647727 30.5475380
30.5706789 30.6978866 30.8066033 30.8940756 30.9550009
31.1529710 31.2658414 31.3122666 31.4601636 31.5218368
31.6224076 31.6860236 31.8324416 31.9774083 32.2080589
32.5292823 32.6868667 32.7768846 32.7916296 33.0861581
33.1694239 33.5435030 33.6255612 33.7508148 33.9940209
34.2257030 34.2562874 34.3890266 34.4985301 34.7022530
34.8022495 34.9699562 35.0746458 35.3707872 35.3899105
35.5481386 35.7451561 35.8291002 35.9187169 36.2404588
36.3363161 36.4156081 36.6044747 36.8160577 37.0018332
37.0586364 37.2552989 37.3575683 37.5195828 37.5454841
37.7190463 37.9902629 38.1247754 38.2612010 38.4388354
38.5124104 38.6771488 38.7629716 38.9559710 39.1151544
39.1749679 39.2568053 39.5173091 39.7315550 39.9613631
40.0687002 40.2122649 40.2407251 40.3816788 40.4878633
40.8381995 41.0100105 41.1530989 41.3009032 41.6574011
41.7017612 41.7708685 42.0230113 42.0536061 42.2148783
42.3288055 42.4755476 42.7484213 43.0989190 43.1340845
43.3442873 43.6980175 43.7893640 43.9314644 44.2155428
44.3511555 44.5710061 44.6321475 44.8924825 45.0773126
45.2684790 45.4658979 45.6173659 45.7327385 46.0057741
46.0920225 46.2478605 46.6291749 46.7076245 46.8178724
47.2058938 47.4575800 47.5154954 47.6652534 47.7951594
47.9339250 48.0227278 48.1772739 48.3332920 48.5527091
48.7170805 48.9443089 49.1303792 49.2636942 49.5052356
49.5823222 49.9125294 50.0289843 50.4317131 50.5546807
50.7097367 50.8102914 51.1004665 51.2419840 51.4119823
51.5160949 51.8435834 52.0670853 52.1439284 52.2350799
52.5201556 52.6151408 52.9049453 53.2602074 53.4325098
53.5378491 53.6626297 53.7630298 53.8901403 54.5776262
54.6398917 54.9170365 55.0368035 55.1736305 55.2473395
55.5535536 55.8273759 55.9158730 56.1526408 56.3495916
56.4295207 56.6552187 56.9470479 57.1429456 57.1801894
57.4406402 57.7401814 58.0987005 58.1568595 58.4543613
58.5244006 58.6961265 58.8496477 59.0004430 59.1888919
59.7307132 59.9320526 60.0625205 60.1378749 60.3978138
60.7623642 61.1748136 61.5243966 61.7799413 62.1739810
62.5201495 62.5519086 62.6149295 63.1251757 63.2824531
63.6609662 63.8395593 64.0904113 64.5474336 64.5810069
64.7386378 64.9938928 65.2483069 65.5951465 65.9721506
66.0409424 66.8633207 67.2934382 67.4973512 68.1088469
68.3977209 68.7210602 68.9059749 69.3739622 69.6289514
70.0740101 70.4748518 70.8484143 71.0191869 71.3252853
71.5788891 71.7192855 72.1590962 72.4124692 72.6508822
73.0356806 73.2643778 73.3549829 74.1114035 74.4172662
74.6519729 74.8220470 75.6014227 76.1061896 76.6033262
76.6344575 77.2033411 77.7539521 78.9228145 79.0287028
79.2706999 80.3513075 80.5219402 81.5973472 82.0480441
82.4216371 82.7866806 83.8067157 84.3061066 84.5951780
84.8777930 85.5483939 85.7299923 86.1331205 86.8316601
87.4381884 88.2615212 89.1520206 89.5869166 90.1472779
90.9034502 91.4044395 91.6126557 92.7725837 92.8081756
94.0912003 94.7980176 95.4766088 97.1352385 99.3273617
102.7167404 103.0487306
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034254 0.0034312 0.0034321 0.0034337 0.0034415
0.0034477 4.4304180 23.6602256 26.9620458 27.9415433
31.3675892 32.6703249 39.8305413 45.5736114 48.7095074
52.4431442 54.0902871 57.3719174 59.9843163 61.5146099
66.8851904 71.8314712 79.1130571 82.1245159 84.0332169
85.4339315 87.0822538 92.5542421 93.6175077 96.5367182
97.5863515 100.7511233 103.0359617 105.6422175 109.6403670
111.7582103 112.7384294 118.6805477 123.2712006 130.4843930
132.0388989 132.8039084 135.4030470 138.7069084 140.6173889
142.2718804 144.5855916 146.9480133 147.7889177 152.5861170
153.6903063 154.1185605 160.0192684 161.4876016 165.9971943
167.3255839 172.2427611 173.4434732 176.4624709 179.8145580
181.0030198 185.2945424 188.1761714 189.1197705 189.6313689
191.8204315 194.0785795 198.0689610 199.9221344 201.4965135
203.8395529 208.6721472 210.8875660 211.3651784 212.8591088
214.7882209 220.3838140 221.7283042 223.6812450 225.7150999
226.8979840 229.6914237 232.0479038 234.9529303 237.7851982
239.2442518 241.8764899 242.0869916 243.4065109 245.2791017
248.1420375 250.7223674 251.8207049 252.6432386 255.4432929
258.1806865 260.2272168 262.6776892 264.3460496 265.4432494
268.5412373 271.2370431 272.4110625 273.7015157 275.9256145
279.1889417 281.3575500 283.6300359 285.2383412 288.1392042
289.8888205 291.8039247 292.2067342 294.5331299 295.8976584
296.8127394 300.4417609 301.4617575 304.1471452 305.3635699
307.4535651 310.3772816 311.3877224 312.6531082 315.1322274
317.0927478 319.7905129 320.8891096 323.4995024 324.8973410
325.8021670 327.9192602 328.1691484 329.5443409 332.1212436
334.9117843 335.2482936 336.9333313 338.7404120 342.0336138
342.7992936 343.6105734 345.3788754 347.2142833 348.7574410
350.9122865 351.4571091 353.9786286 355.2142975 357.5753367
359.0906534 361.3342104 362.0627707 366.1887277 366.3984279
367.4017953 370.0501981 372.6122699 374.0500683 376.0702424
376.9606972 378.7862278 379.3496798 383.5656947 384.8477733
385.9026036 389.1874470 389.5855064 392.4158409 394.3847390
397.5930922 398.6317325 401.2947526 402.9660914 403.1427111
403.3134150 405.2562999 406.2558296 407.0594934 408.8728399
409.7189752 411.9240158 413.9470365 415.3892447 416.2607281
417.8130686 418.4601642 420.3183831 421.7195751 423.0034668
425.7120264 427.6061263 428.4085065 429.3238910 430.0776217
432.4886432 435.1778139 436.7553082 437.3643095 439.1176557
441.3978279 441.9403043 444.2115115 445.3511045 445.6524661
447.5591742 448.9297315 449.3453388 451.5692292 452.5112942
454.0674362 454.8487146 458.3797997 459.2198992 460.3420288
461.5150084 462.5519922 464.8125166 466.0088645 469.6491757
470.5058536 471.9156344 472.4643581 474.5632528 476.1632087
477.3479376 479.1466926 480.2426394 482.0372122 483.6992011
485.3425679 486.9997040 489.3580604 490.2976556 492.3931793
493.6994100 493.9862363 494.9034323 498.4185609 500.0895921
501.2560347 502.3292135 505.1037386 506.0148985 507.1403378
508.1045204 509.1188316 512.4826361 512.8590548 514.4148382
515.6009247 516.1175113 517.1423572 519.7221221 520.2686357
521.1922268 522.6437192 522.8648961 524.8671354 526.8003781
527.4700276 530.1659278 530.7597619 531.4696453 533.0869194
534.8664379 537.4590446 537.8253813 538.1293352 540.3282019
540.7095755 542.4222317 543.0933635 543.9696629 545.4405375
545.8889537 547.2186064 547.3981516 548.7279854 549.8984108
551.6326877 553.2778995 554.9447729 556.4404345 557.4697359
557.7934339 559.0578332 560.7550811 561.4139882 562.5360096
562.9380664 565.6279439 566.7384805 567.2072194 569.2027420
570.1997619 570.7251295 571.3495170 572.7333134 575.0843521
576.6301733 576.9391761 579.0723607 579.6816340 580.1051413
582.5699468 582.9013572 584.4643077 585.2461371 586.6713986
587.8302985 589.3646762 589.8712128 591.4436392 592.6311442
593.4865278 594.3701594 597.0238075 598.3844476 600.1825818
600.4098685 601.6577555 602.7222006 603.5772792 604.1721344
606.1010215 607.1980110 607.6486440 609.0820045 609.6787224
610.6505414 611.2644667 612.6751362 614.0686294 616.2792656
619.3448360 620.8431964 621.6974933 621.8373164 624.6236884
625.4091695 628.9259108 629.6947185 630.8664200 633.1353306
635.2891948 635.5729819 636.8031778 637.8162440 639.6967084
640.6177066 642.1593708 643.1198692 645.8291495 646.0037105
647.4462396 649.2379220 649.9998117 650.8122024 653.7205295
654.5845154 655.2983337 656.9954618 658.8915247 660.5518314
661.0586580 662.8103879 663.7195035 665.1571753 665.3867290
666.9229030 669.3163436 670.5002235 671.6988111 673.2562456
673.9002706 675.3400507 676.0889090 677.7699304 679.1532834
679.6723540 680.3819088 682.6356457 684.4836228 686.4603022
687.3816076 688.6119384 688.8555776 690.0609717 690.9676409
693.9506288 695.4088617 696.6209836 697.8708443 700.8762860
701.2493612 701.8301693 703.9452212 704.2014281 705.5504139
706.5018232 707.7253857 709.9950493 712.8997611 713.1905380
714.9262006 717.8375085 718.5874020 719.7523974 722.0757515
723.1822358 724.9724436 725.4695226 727.5822431 729.0784950
730.6228178 732.2142331 733.4328914 734.3597822 736.5486731
737.2387646 738.4840227 741.5221797 742.1456910 743.0210487
746.0937344 748.0800525 748.5363776 749.7150571 750.7359919
751.8250233 752.5211192 753.7310239 754.9504849 756.6621564
757.9418849 759.7074413 761.1501518 762.1821408 764.0483568
764.6429911 767.1849414 768.0794102 771.1646982 772.1042913
773.2874428 774.0537575 776.2609023 777.3350465 778.6234064
779.4113894 781.8848285 783.5684007 784.1464015 784.8314751
786.9701907 787.6815058 789.8478038 792.4953211 793.7761896
794.5582471 795.4836461 796.2274541 797.1681478 802.2368402
802.6943296 804.7274704 805.6044964 806.6052816 807.1438919
809.3776405 811.3698915 812.0127252 813.7300849 815.1558819
815.7338063 817.3635010 819.4659030 820.8741737 821.1416390
823.0096287 825.1527519 827.7105477 828.1247289 830.2401661
830.7374083 831.9553162 833.0426056 834.1092100 835.4402308
839.2553732 840.6686581 841.5831995 842.1109582 843.9289591
846.4720294 849.3400582 851.7633748 853.5304632 856.2480949
858.6284695 858.8465252 859.2790594 862.7730686 863.8472066
866.4268320 867.6413083 869.3442976 872.4383949 872.6652579
873.7296197 875.4504193 877.1621910 879.4904608 882.0142487
882.4739849 887.9515118 890.8029352 892.1515727 896.1837075
898.0822142 900.2024817 901.4128008 904.4686746 906.1293709
909.0206851 911.6168962 914.0297836 915.1307067 917.1007298
918.7297023 919.6302693 922.4457254 924.0638034 925.5837606
928.0317201 929.4835611 930.0581235 934.8411029 936.7681927
938.2442793 939.3124378 944.1918873 947.3386794 950.4277194
950.6208249 954.1426917 957.5390992 964.7095160 965.3564594
966.8333591 973.4009246 974.4339250 980.9193465 983.6246335
985.8614809 988.0422480 994.1105685 997.0680429 998.7759692
1000.4429300 1004.3872949 1005.4527645 1007.8139629 1011.8923959
1015.4203335 1020.1898175 1025.3234156 1027.8212085 1031.0306806
1035.3458897 1038.1949817 1039.3767952 1045.9359881 1046.1366039
1053.3429299 1057.2919075 1061.0693576 1070.2461783 1082.2553223
1100.5655007 1102.3426313
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404111220353637058.eigenfacs
Openam> file on opening on unit 10:
2404111220353637058.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404111220353637058.atom
Openam> file on opening on unit 11:
2404111220353637058.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 = 194
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: 9.9500E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9837E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9892E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9984E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0044E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0080E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6646E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.7473E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.1647E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.6208E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 8.3440E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 9.0514E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1345
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1761
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2012
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2332
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2481
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2791
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3051
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3209
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3794
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5308
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5719
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5988
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6190
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7264
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7432
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7903
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8076
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9003
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9464
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.019
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.078
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.289
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.478
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.496
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.555
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.632
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.677
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.717
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.773
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.831
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.852
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.974
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.003
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.171
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.212
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.337
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.374
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.516
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.551
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.641
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.742
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.778
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.912
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.003
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.033
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.050
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.120
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.327
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.443
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.524
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.693
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.771
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.789
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 3.842
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 3.912
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.119
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.169
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.320
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.474
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.566
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.681
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4.854
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 4.961
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 4.970
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.024
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.102
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.222
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.331
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.378
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.413
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.533
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.653
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.743
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 5.851
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 5.926
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 5.975
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.115
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.239
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.293
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.353
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.610
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 582 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 : 0.001665
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.097 for 194 C-alpha atoms.
Bfactors> = 60.875 +/- 396.72
Bfactors> = 41.664 +/- 11.38
Bfactors> Shiftng-fct= -19.211
Bfactors> Scaling-fct= 0.029
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404111220353637058 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=0
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=100
2404111220353637058.eigenfacs
2404111220353637058.atom
making animated gifs
11 models are in 2404111220353637058.7.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 2404111220353637058.7.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 2404111220353637058.7.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 2404111220353637058 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=0
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=100
2404111220353637058.eigenfacs
2404111220353637058.atom
making animated gifs
11 models are in 2404111220353637058.8.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 2404111220353637058.8.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 2404111220353637058.8.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 2404111220353637058 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=0
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=100
2404111220353637058.eigenfacs
2404111220353637058.atom
making animated gifs
11 models are in 2404111220353637058.9.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 2404111220353637058.9.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 2404111220353637058.9.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 2404111220353637058 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=0
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=100
2404111220353637058.eigenfacs
2404111220353637058.atom
making animated gifs
11 models are in 2404111220353637058.10.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 2404111220353637058.10.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 2404111220353637058.10.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 2404111220353637058 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=0
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=100
2404111220353637058.eigenfacs
2404111220353637058.atom
making animated gifs
11 models are in 2404111220353637058.11.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 2404111220353637058.11.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 2404111220353637058.11.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 2404111220353637058 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=0
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=100
2404111220353637058.eigenfacs
2404111220353637058.atom
making animated gifs
11 models are in 2404111220353637058.12.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 2404111220353637058.12.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 2404111220353637058.12.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 2404111220353637058 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=0
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=100
2404111220353637058.eigenfacs
2404111220353637058.atom
making animated gifs
11 models are in 2404111220353637058.13.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 2404111220353637058.13.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 2404111220353637058.13.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 2404111220353637058 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=0
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=100
2404111220353637058.eigenfacs
2404111220353637058.atom
making animated gifs
11 models are in 2404111220353637058.14.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 2404111220353637058.14.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 2404111220353637058.14.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 2404111220353637058 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=0
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=100
2404111220353637058.eigenfacs
2404111220353637058.atom
making animated gifs
11 models are in 2404111220353637058.15.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 2404111220353637058.15.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 2404111220353637058.15.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 2404111220353637058 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=-20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=0
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=20
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=40
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=60
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=80
2404111220353637058.eigenfacs
2404111220353637058.atom
calculating perturbed structure for DQ=100
2404111220353637058.eigenfacs
2404111220353637058.atom
making animated gifs
11 models are in 2404111220353637058.16.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 2404111220353637058.16.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 2404111220353637058.16.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
2404111220353637058.10.pdb
2404111220353637058.11.pdb
2404111220353637058.12.pdb
2404111220353637058.13.pdb
2404111220353637058.14.pdb
2404111220353637058.15.pdb
2404111220353637058.16.pdb
2404111220353637058.7.pdb
2404111220353637058.8.pdb
2404111220353637058.9.pdb
STDERR:
real 0m2.837s
user 0m2.803s
sys 0m0.012s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404111220353637058.Chkmod.res: No such file or directory
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
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
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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