*** ***
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 = 240416114101659617.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 240416114101659617.atom to be opened.
Openam> File opened: 240416114101659617.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 194
First residue number = 96
Last residue number = 289
Number of atoms found = 197
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.608198 +/- 9.187907 From: -18.534000 To: 21.554000
= 0.227853 +/- 7.582606 From: -19.065000 To: 16.353000
= 31.344289 +/- 10.750922 From: 11.962000 To: 53.464000
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 5.6684 % Filled.
Pdbmat> 9916 non-zero elements.
Pdbmat> 971 atom-atom interactions.
Pdbmat> Number per atom= 9.86 +/- 3.30
Maximum number = 20
Minimum number = 4
Pdbmat> Matrix trace = 19420.0
Pdbmat> Larger element = 77.5408
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 197 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 591
Diagstd> Number of non-zero elements 9916
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 19420.0000006
%Diagstd-Wn: Nb on non-zero elements there: 591
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 591 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 19420.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0055525 0.0535390 0.0634920 0.0696143
0.0706778 0.1430174 0.1700644 0.1785208 0.2166828
0.2328547 0.2700200 0.2774941 0.2994502 0.3133642
0.3627367 0.4806631 0.5099384 0.5400521 0.6087456
0.6644911 0.6702166 0.7210999 0.7496077 0.7774176
0.8092785 0.8655295 0.8841685 0.9062621 1.0313837
1.0655859 1.0901000 1.2181377 1.2606316 1.3684460
1.4624053 1.4989212 1.5472319 1.6339437 1.6619754
1.7091150 1.7698108 1.8324928 1.9293269 1.9578287
2.0628670 2.1207203 2.1669000 2.2772496 2.2800964
2.3901778 2.4790896 2.5015681 2.5617503 2.6677983
2.6873646 2.8373159 2.8550236 2.8969320 3.0210154
3.1848867 3.2407920 3.2913414 3.3520670 3.4111129
3.4498336 3.5738019 3.6409930 3.6961745 3.8087100
3.9337025 4.0654717 4.1802564 4.2076697 4.3051707
4.3940128 4.5669220 4.5816462 4.6771157 4.7970487
4.8385258 4.9297138 4.9316066 5.0323110 5.1238597
5.1991208 5.2633152 5.3762178 5.4918645 5.5565965
5.7060826 5.7431282 5.8472409 6.0183624 6.0680153
6.1326002 6.2176603 6.2649144 6.4238369 6.4965922
6.7234480 6.8123089 7.0060707 7.0330336 7.1724411
7.2076742 7.2584317 7.3833717 7.4600074 7.6044371
7.7065061 7.7913956 7.8160454 7.8641866 8.0574304
8.1869701 8.2647253 8.3550177 8.4898800 8.6407492
8.8125589 8.8330561 8.9201470 8.9696724 9.0157569
9.0765601 9.1123865 9.2283989 9.4146307 9.4816430
9.6753581 9.7302537 10.0017032 10.0180306 10.1292605
10.2475161 10.3475614 10.3619839 10.4891422 10.5288289
10.6467850 10.7755799 10.8522514 11.0238065 11.0407332
11.1206423 11.2902328 11.3808258 11.5064354 11.6602754
11.7056081 11.8192572 11.9431356 12.0891999 12.1346562
12.2610744 12.4329457 12.5456641 12.6454036 12.7571155
13.0171530 13.0447130 13.0828702 13.2122515 13.2790580
13.4318002 13.5868186 13.6490519 13.7714335 13.9889016
14.1224535 14.2853572 14.3028323 14.4927623 14.5242583
14.5581868 14.5954439 14.6901646 14.7622340 14.8362940
15.0258260 15.0541810 15.2454850 15.3514679 15.4436555
15.5555018 15.6105351 15.6334151 15.7383919 15.9223346
15.9398773 15.9876456 16.2384603 16.4497941 16.5099130
16.5474408 16.5958563 16.7398812 16.8778396 16.9259189
16.9853275 17.1798283 17.3426016 17.5465361 17.6147315
17.6782536 17.7378514 17.8972491 18.0983780 18.2186765
18.3423372 18.4554180 18.6023860 18.6986073 18.9516474
18.9601630 19.0166117 19.0518564 19.3207951 19.4687317
19.5467624 19.6547610 19.7858291 19.8848861 19.9418274
20.1399541 20.2641733 20.5456966 20.6874099 20.8565868
20.8737613 21.0262634 21.1694720 21.3841320 21.4681901
21.5006489 21.5995729 21.8371135 21.9770369 22.0534846
22.1243242 22.2823838 22.4669035 22.6085848 22.6788298
22.7692733 22.9263348 22.9887274 23.1875176 23.2397341
23.3189947 23.4501834 23.6337579 23.6800332 23.8675411
23.9381850 23.9491475 24.1252123 24.2754944 24.3279136
24.3782520 24.5104954 24.6224427 24.7779263 24.8991229
24.9353431 24.9933167 25.1375610 25.1804551 25.3758267
25.4093811 25.6394883 25.6901102 25.8132937 25.8369106
25.9001365 26.0490148 26.0907138 26.1869975 26.2821100
26.3723104 26.5241024 26.7318604 26.8168250 26.9756690
27.0986912 27.1859477 27.3614054 27.3862962 27.4863539
27.5459867 27.6780994 27.8500249 27.9441506 27.9760241
28.1360822 28.1824939 28.3566827 28.5512959 28.5865756
28.6797638 28.7796775 28.9922444 29.0201538 29.2217458
29.3167183 29.4611987 29.5203097 29.5645233 29.7035434
29.8787543 30.0006331 30.1036593 30.3991992 30.6188205
30.7512615 30.7968773 31.0058388 31.1496349 31.4039227
31.4554120 31.5193440 31.5981142 31.8392626 31.9126372
31.9357448 32.1655667 32.4374065 32.5340347 32.7740579
32.9891422 33.0825251 33.2561356 33.4608973 33.5668263
33.7749903 33.8666658 33.9677709 34.1696051 34.2389780
34.3690156 34.5542403 34.6666863 34.7603400 35.0178094
35.1200531 35.3093076 35.4096669 35.6210218 35.6663560
35.7304542 35.7941843 36.0199900 36.1546899 36.4276809
36.6580096 36.7455711 36.9247879 37.1590756 37.2659859
37.3523400 37.4128016 37.5558177 37.7157524 37.8382669
38.0982805 38.1550456 38.3765523 38.4614467 38.6167884
38.7080641 38.8848693 39.1659411 39.4252063 39.6137463
39.6492805 39.9044817 40.0311988 40.1673773 40.3694985
40.4823588 40.6119788 40.7052019 40.8207721 40.8974153
41.0351496 41.3882843 41.5064386 41.7233030 41.8839347
41.9747787 42.1682644 42.3452105 42.4884901 42.5848806
42.6504179 42.7770924 43.0278334 43.0787369 43.4133559
43.7162867 43.7971779 43.9045941 44.0291797 44.1162942
44.2880199 44.6565987 44.7648797 44.8135141 44.9482373
45.3962359 45.7280521 45.7657246 45.9043360 46.1846084
46.4504812 46.5436394 46.7681534 46.9481049 47.0312026
47.2565353 47.5014633 47.6623335 47.8668099 47.9082804
47.9686723 48.0941075 48.4006557 48.6011127 48.9436109
49.2489597 49.2647853 49.4946165 49.9512281 49.9960048
50.2052160 50.3457105 50.6745110 50.6947486 51.0171800
51.0885598 51.3151499 51.5580235 51.6805564 51.8230907
52.0382327 52.2276027 52.3131845 52.5461707 52.7227938
52.7694994 53.0218733 53.0671699 53.2190063 53.5008178
53.5533492 53.9471378 54.1005041 54.3794955 54.5374862
54.6645081 54.7530277 54.9613291 55.1142592 55.1862572
55.4011492 55.4269849 55.6921814 56.0464495 56.2806285
56.5239169 56.6511304 56.8651047 56.9145958 57.1592896
57.4106023 57.4561814 57.6340664 57.9569257 58.0897386
58.1393914 58.5521464 58.6358297 59.0297172 59.3249502
59.5129064 59.7665132 59.8678644 60.0975992 60.7597361
61.0664212 61.1340769 61.2595715 61.5643657 61.8868996
62.1313749 62.6635331 62.7181356 63.0303929 63.1911458
63.3506906 63.6220861 63.9093969 64.0949556 64.1986102
64.3618455 64.7972361 65.1536707 65.3837100 65.5841904
65.9089842 65.9603342 66.0618171 66.7427033 66.9092329
67.0278875 67.3346665 67.6474760 68.4680393 68.6621683
69.3420564 69.5988614 69.8079102 70.4125228 70.6906590
70.9355611 70.9691148 71.2761332 71.5517508 72.2444685
72.3251410 72.7024053 72.9353110 73.1397868 73.4489220
73.7214880 74.1417263 74.7786786 74.8113395 75.2435897
75.8700547 76.0711820 77.0080302 77.3653866 77.8595472
78.1271608 78.5167315 79.5524056 79.6757424 80.1145807
80.2292938 80.9182770 81.1757945 81.4824085 82.0740090
82.7347199 83.0155999 84.0624227 84.6697860 85.2539076
85.3471577 85.7333552 86.3079207 87.0210223 87.5271571
88.2575057 88.6592754 89.4253872 89.6112049 90.4236762
90.9590852 91.5347388 92.4076612 92.6705950 93.6554359
94.1786665 95.6864632 95.7961795 96.5566388 98.1900856
99.6750037 100.7273729 101.0787076 103.2820891 105.4092169
110.7804660
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034244 0.0034280 0.0034317 0.0034352 0.0034394
0.0034429 8.0916849 25.1263987 27.3624478 28.6513106
28.8693455 41.0666876 44.7818474 45.8817243 50.5484109
52.4007888 56.4278132 57.2034369 59.4234112 60.7882996
65.4019997 75.2862493 77.5450629 79.8018812 84.7253184
88.5196883 88.9002289 92.2131810 94.0182787 95.7464041
97.6886901 101.0267143 102.1087118 103.3765847 110.2821960
112.0958463 113.3779120 119.8514985 121.9240488 127.0308211
131.3194796 132.9488794 135.0743789 138.8077841 139.9934026
141.9648824 144.4636899 146.9996901 150.8336312 151.9436735
155.9663456 158.1382662 159.8507626 163.8704300 163.9728255
167.8844177 170.9784556 171.7518601 173.8055637 177.3665751
178.0158102 182.9149169 183.4848149 184.8265803 188.7433888
193.7948676 195.4883396 197.0070395 198.8161331 200.5595411
201.6946380 205.2865596 207.2073711 208.7716446 211.9259956
215.3753685 218.9529243 222.0223731 222.7491740 225.3151885
227.6281357 232.0636278 232.4374237 234.8466332 237.8386030
238.8646113 241.1049545 241.1512360 243.6009729 245.8068020
247.6054702 249.1293933 251.7872335 254.4808961 255.9762737
259.3966166 260.2372956 262.5855196 266.4001389 267.4968148
268.9165973 270.7751321 271.8021277 275.2279479 276.7821541
281.5731919 283.4278003 287.4302943 287.9828502 290.8230171
291.5364460 292.5611647 295.0683628 296.5957406 299.4531022
301.4560775 303.1118457 303.5909473 304.5244616 308.2432406
310.7111818 312.1831735 313.8838484 316.4069808 319.2059508
322.3638220 322.7384985 324.3256421 325.2247373 326.0591392
327.1567784 327.8018093 329.8818786 333.1938102 334.3775260
337.7760120 338.7328864 343.4252809 343.7054798 345.6082893
347.6198640 349.3126284 349.5559811 351.6942483 352.3589551
354.3272247 356.4639433 357.7298690 360.5463231 360.8230209
362.1264236 364.8772015 366.3381668 368.3542469 370.8085028
371.5286163 373.3278358 375.2791728 377.5670266 378.2762002
380.2415261 382.8972962 384.6290722 386.1549688 387.8569026
391.7899443 392.2044754 392.7776771 394.7150596 395.7117212
397.9810491 400.2710393 401.1866957 402.9812637 406.1505888
408.0847412 410.4316400 410.6826013 413.4003736 413.8493358
414.3324266 414.8622647 416.2062631 417.2259605 418.2712323
420.9344371 421.3314205 424.0000454 425.4712645 426.7468580
428.2893672 429.0463141 429.3606203 430.7997652 433.3099418
433.5485798 434.1977178 437.5903174 440.4286003 441.2326811
441.7338686 442.3796221 444.2950415 446.1220696 446.7570438
447.5403964 450.0955200 452.2227476 454.8738567 455.7569437
456.5779773 457.3469494 459.3972818 461.9714191 463.5042196
465.0745948 466.5059890 468.3597939 469.5695325 472.7360956
472.8422923 473.5456482 473.9842704 477.3179618 479.1418552
480.1010956 481.4255820 483.0281117 484.2357335 484.9285534
487.3315384 488.8321105 492.2159876 493.9105929 495.9260243
496.1301694 497.9392153 499.6320541 502.1588179 503.1448094
503.5250298 504.6820546 507.4495780 509.0727483 509.9573909
510.7757705 512.5970535 514.7150772 516.3354809 517.1369870
518.1671364 519.9512128 520.6582399 522.9045349 523.4929742
524.3849177 525.8578994 527.9121668 528.4287447 530.5167736
531.3013141 531.4229548 533.3727844 535.0314631 535.6088113
536.1626550 537.6149354 538.8412657 540.5399022 541.8602651
542.2542369 542.8842306 544.4485541 544.9128729 547.0227390
547.3842834 549.8572514 550.3997956 551.7177946 551.9701233
552.6450788 554.2311501 554.6745768 555.6971039 556.7053492
557.6598402 559.2624081 561.4484309 562.3399778 564.0029714
565.2875731 566.1969415 568.0211156 568.2794224 569.3166001
569.9338437 571.2989326 573.0705287 574.0381245 574.3654091
576.0061132 576.4809905 578.2597873 580.2407063 580.5990849
581.5446508 582.5567540 584.7041807 584.9855458 587.0138650
587.9670073 589.4140542 590.0050578 590.4467284 591.8333176
593.5762610 594.7856606 595.8060731 598.7235654 600.8824351
602.1805838 602.6270499 604.6680511 606.0685672 608.5373375
609.0360066 609.6546148 610.4159355 612.7407740 613.4464081
613.6684627 615.8726014 618.4695777 619.3900760 621.6706854
623.7072488 624.5893944 626.2261099 628.1510239 629.1445241
631.0923223 631.9482292 632.8908311 634.7683437 635.4123865
636.6178727 638.3310274 639.3688089 640.2318689 642.5985885
643.5360227 645.2676329 646.1840011 648.1096190 648.5219058
649.1043935 649.6830186 651.7290422 652.9465039 655.4069495
657.4757221 658.2604786 659.8637717 661.9538781 662.9054475
663.6730575 664.2099784 665.4782890 666.8937824 667.9760606
670.2672009 670.7663524 672.7105802 673.4542346 674.8128698
675.6099016 677.1511218 679.5940432 681.8396737 683.4680825
683.7745553 685.9715708 687.0598629 688.2274941 689.9568924
690.9206692 692.0259108 692.8197139 693.8025436 694.4535642
695.6219710 698.6087042 699.6051793 701.4304595 702.7793910
703.5411232 705.1607700 706.6387157 707.8332010 708.6356505
709.1807292 710.2331041 712.3116039 712.7328249 715.4955871
717.9875493 718.6515127 719.5322491 720.5524137 721.2648904
722.6673140 725.6682156 726.5474641 726.9420321 728.0339179
731.6530750 734.3221549 734.6245733 735.7362171 737.9788461
740.0999743 740.8417515 742.6264126 744.0537558 744.7119493
746.4938241 748.4258415 749.6920939 751.2985014 751.6238837
752.0974724 753.0801752 755.4764011 757.0392321 759.7020248
762.0681495 762.1905808 763.9664067 767.4822946 767.8262061
769.4310364 770.5068733 773.0188134 773.1731561 775.6280465
776.1704603 777.8898074 779.7285031 780.6545054 781.7302820
783.3512664 784.7753006 785.4180165 787.1650738 788.4869108
788.8360821 790.7201644 791.0578484 792.1887318 794.2834084
794.6732579 797.5896032 798.7225322 800.7793538 801.9417768
802.8751250 803.5249194 805.0519265 806.1711781 806.6975736
808.2666636 808.4551048 810.3868680 812.9602913 814.6569176
816.4158076 817.3340093 818.8761114 819.2323780 820.9915585
822.7944091 823.1209580 824.3941694 826.7000242 827.6467065
828.0003511 830.9343075 831.5278849 834.3161138 836.3998982
837.7238118 839.5068420 840.2183525 841.8289208 846.4537232
848.5872742 849.0572209 849.9282363 852.0400022 854.2689931
855.9546634 859.6124942 859.9869284 862.1250963 863.2237789
864.3128248 866.1622116 868.1157583 869.3751167 870.0778111
871.1832657 874.1249593 876.5258417 878.0718619 879.4170092
881.5918959 881.9352556 882.6134433 887.1502449 888.2563186
889.0435722 891.0757751 893.1431649 898.5437465 899.8166755
904.2606629 905.9335588 907.2930807 911.2136830 913.0116000
914.5917604 914.8080432 916.7846765 918.5555227 922.9912423
923.5064325 925.9119089 927.3938249 928.6928997 930.6534535
932.3786635 935.0323294 939.0401761 939.2452248 941.9547349
945.8678820 947.1207739 952.9350205 955.1435130 958.1890800
959.8343787 962.2244468 968.5497622 969.3002834 971.9659755
972.6615878 976.8291109 978.3822255 980.2282376 983.7802602
987.7321287 989.4073573 995.6260047 999.2163030 1002.6570857
1003.2052854 1005.4724847 1008.8360828 1012.9951612 1015.9367990
1020.1666101 1022.4859968 1026.8941860 1027.9605277 1032.6100795
1035.6626690 1038.9347045 1043.8768574 1045.3609094 1050.9009266
1053.8324048 1062.2348151 1062.8436322 1067.0538816 1076.0416941
1084.1475945 1089.8557850 1091.7548261 1103.5900781 1114.8965558
1142.9490583
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240416114101659617.eigenfacs
Openam> file on opening on unit 10:
240416114101659617.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240416114101659617.atom
Openam> file on opening on unit 11:
240416114101659617.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 194
First residue number = 96
Last residue number = 289
Number of atoms found = 197
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9445E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9656E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9869E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0032E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0052E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 5.5525E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.3539E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.3492E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.9614E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 7.0678E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1430
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1701
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2167
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2329
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2700
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3134
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3627
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4807
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5099
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5401
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6087
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6645
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6702
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7211
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7496
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7774
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8093
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8655
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8842
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9063
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.031
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.066
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.090
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.218
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.261
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.499
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.547
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.634
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.662
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.770
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.832
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.929
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.063
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.121
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.167
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.280
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.390
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.479
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.562
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.668
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.687
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.837
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 2.855
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 2.897
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.021
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.185
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.241
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.291
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.352
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.411
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.450
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.641
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.696
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 3.809
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 3.934
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.065
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.180
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.208
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.394
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.567
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.582
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.677
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.797
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4.839
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 4.930
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 4.932
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.124
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.199
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.263
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.492
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.557
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.706
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: 5.847
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.133
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.218
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.265
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.424
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.497
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.723
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 591 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.005553
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= 0.168 for 197 C-alpha atoms.
Bfactors> = 26.188 +/- 112.26
Bfactors> = 18.896 +/- 6.56
Bfactors> Shiftng-fct= -7.292
Bfactors> Scaling-fct= 0.058
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240416114101659617 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=0
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=100
240416114101659617.eigenfacs
240416114101659617.atom
making animated gifs
11 models are in 240416114101659617.7.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 240416114101659617.7.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 240416114101659617.7.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 240416114101659617 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=0
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=100
240416114101659617.eigenfacs
240416114101659617.atom
making animated gifs
11 models are in 240416114101659617.8.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 240416114101659617.8.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 240416114101659617.8.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 240416114101659617 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=0
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=100
240416114101659617.eigenfacs
240416114101659617.atom
making animated gifs
11 models are in 240416114101659617.9.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 240416114101659617.9.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 240416114101659617.9.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 240416114101659617 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=0
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=100
240416114101659617.eigenfacs
240416114101659617.atom
making animated gifs
11 models are in 240416114101659617.10.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 240416114101659617.10.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 240416114101659617.10.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 240416114101659617 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=0
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=100
240416114101659617.eigenfacs
240416114101659617.atom
making animated gifs
11 models are in 240416114101659617.11.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 240416114101659617.11.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 240416114101659617.11.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 240416114101659617 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=0
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=100
240416114101659617.eigenfacs
240416114101659617.atom
making animated gifs
11 models are in 240416114101659617.12.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 240416114101659617.12.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 240416114101659617.12.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 240416114101659617 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=0
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=100
240416114101659617.eigenfacs
240416114101659617.atom
making animated gifs
11 models are in 240416114101659617.13.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 240416114101659617.13.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 240416114101659617.13.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 240416114101659617 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=0
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=100
240416114101659617.eigenfacs
240416114101659617.atom
making animated gifs
11 models are in 240416114101659617.14.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 240416114101659617.14.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 240416114101659617.14.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 240416114101659617 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=0
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=100
240416114101659617.eigenfacs
240416114101659617.atom
making animated gifs
11 models are in 240416114101659617.15.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 240416114101659617.15.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 240416114101659617.15.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 240416114101659617 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=-20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=0
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=20
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=40
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=60
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=80
240416114101659617.eigenfacs
240416114101659617.atom
calculating perturbed structure for DQ=100
240416114101659617.eigenfacs
240416114101659617.atom
making animated gifs
11 models are in 240416114101659617.16.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 240416114101659617.16.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 240416114101659617.16.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
240416114101659617.10.pdb
240416114101659617.11.pdb
240416114101659617.12.pdb
240416114101659617.13.pdb
240416114101659617.14.pdb
240416114101659617.15.pdb
240416114101659617.16.pdb
240416114101659617.7.pdb
240416114101659617.8.pdb
240416114101659617.9.pdb
STDERR:
real 0m3.015s
user 0m2.991s
sys 0m0.024s
../../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: 240416114101659617.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
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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
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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