*** ***
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 = 2404140238574142651.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 2404140238574142651.atom to be opened.
Openam> File opened: 2404140238574142651.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 = 192
First residue number = 97
Last residue number = 288
Number of atoms found = 199
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 5.875663 +/- 9.055606 From: -14.989000 To: 24.995000
= -10.903020 +/- 7.996262 From: -31.765000 To: 9.305000
= -32.217487 +/- 10.236160 From: -50.397000 To: -10.059000
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 5.8016 % Filled.
Pdbmat> 10356 non-zero elements.
Pdbmat> 1018 atom-atom interactions.
Pdbmat> Number per atom= 10.23 +/- 3.40
Maximum number = 20
Minimum number = 4
Pdbmat> Matrix trace = 20360.0
Pdbmat> Larger element = 78.0085
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 199 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) = 597
Diagstd> Number of non-zero elements 10356
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 20360.0000006
%Diagstd-Wn: Nb on non-zero elements there: 597
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 597 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 20360.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0015395 0.0674253 0.0783383 0.1067841
0.1497549 0.1640453 0.1892274 0.2270967 0.2564413
0.2677845 0.3034920 0.3459742 0.4060313 0.4271909
0.4598851 0.4847264 0.5302176 0.5878210 0.6496641
0.6994290 0.7813467 0.8357416 0.8881530 0.9351751
0.9714596 0.9972593 1.0490763 1.1002435 1.1525624
1.2429412 1.3159642 1.3519026 1.4276133 1.4937001
1.5646098 1.6207720 1.6889609 1.7306555 1.7656641
1.8320048 1.9640467 1.9910674 2.0375191 2.1008448
2.1439811 2.2536499 2.3223601 2.4522257 2.4788515
2.4922343 2.6075559 2.6265530 2.7800581 2.8755471
2.9420887 3.1073675 3.1856030 3.2371372 3.2712107
3.3559694 3.4585301 3.5999483 3.6239848 3.6776651
3.8635670 3.8749861 3.8967913 3.9907789 4.1312483
4.1526842 4.2517291 4.4310537 4.4952426 4.5955165
4.6302491 4.7654838 4.8182833 4.9167684 5.0482683
5.1420714 5.2296144 5.3638625 5.4453839 5.5281145
5.7069189 5.8179409 5.8423643 5.8711290 6.0554744
6.0916737 6.2605840 6.3359384 6.4457356 6.5176068
6.5628085 6.6920425 6.7904448 6.8525611 6.9213073
6.9793660 7.0995344 7.2038765 7.3331672 7.4145801
7.4868698 7.7071308 7.7473860 7.9424124 8.1165248
8.1872294 8.3042349 8.4136708 8.4783110 8.5812745
8.6309246 8.8020894 8.8856377 8.8993345 9.0654335
9.1125635 9.1968359 9.2753848 9.3218772 9.5099481
9.6109824 9.7510731 9.7955746 9.8976311 10.1626732
10.2373982 10.3868884 10.4331825 10.6554737 10.6867951
10.8224442 10.8671992 11.1140809 11.2044977 11.3193793
11.3545654 11.5070798 11.6075046 11.6178046 11.6373620
11.8279877 11.8690720 11.9621658 12.1064699 12.1399259
12.3080068 12.3589504 12.5057731 12.6758144 12.7524761
12.9751875 13.0385071 13.1202524 13.1779449 13.3445125
13.5004997 13.5715726 13.7308656 13.8618045 13.8703180
13.9863057 14.1245021 14.2036418 14.4287534 14.5016564
14.5986836 14.6662677 14.8558040 14.9580554 15.1130216
15.3188385 15.4023375 15.5107716 15.5544521 15.7994809
15.8673892 15.9127789 16.1027218 16.1207595 16.3310818
16.4040863 16.6329247 16.6423710 16.6776240 16.7653059
16.8987277 17.0238014 17.1458568 17.1776061 17.2945361
17.3933465 17.5455744 17.7013558 17.8428741 17.8856169
18.0447575 18.2566099 18.2963596 18.4260568 18.6017744
18.6290343 18.8091190 18.8737034 18.9372209 19.1354487
19.1624938 19.3979882 19.4722515 19.5031546 19.5918559
19.7230499 19.7404298 19.9855240 20.0823102 20.2205714
20.2530489 20.4941911 20.6012799 20.7201394 20.8256535
20.8452718 20.9545268 21.1749399 21.2831022 21.4386066
21.6479927 21.7107674 21.8039242 21.8935633 22.0555543
22.1352807 22.2615266 22.4469618 22.5039105 22.6229204
22.6763753 22.8646610 22.8820077 22.9657328 23.0707834
23.2261882 23.4443587 23.5260935 23.6616969 23.7181951
23.8149875 23.9411998 24.0205625 24.1729652 24.2900966
24.3687140 24.4936648 24.5674374 24.7412436 24.8496127
24.9344406 25.1543080 25.2175081 25.4188850 25.5113502
25.6797587 25.7344595 25.8265708 25.8631878 25.9992252
26.0973647 26.1079210 26.3157536 26.4229638 26.4790232
26.6398718 26.7479398 26.8647661 26.9731645 27.0533772
27.2266695 27.3723461 27.4584259 27.6014591 27.6341790
27.7124556 27.9159986 27.9520478 28.0528784 28.1499763
28.3154760 28.3749558 28.5444705 28.5670459 28.6200222
28.6846806 28.8803870 29.1143501 29.2792728 29.4604685
29.5616009 29.6007838 29.7387629 29.9047398 29.9858566
30.1769502 30.3001525 30.4643295 30.4720375 30.5767827
30.7635192 30.8585954 30.9354002 30.9898335 31.1071398
31.1426568 31.4206317 31.6202036 31.6334716 31.7251729
32.0649616 32.1861280 32.2072427 32.3376566 32.4569858
32.5464619 32.6817142 32.9534380 33.1267423 33.3660975
33.4466720 33.6417679 33.7761574 33.9647613 34.1726533
34.4322978 34.5821270 34.6859186 35.0064037 35.2403931
35.2638665 35.3761662 35.4615904 35.5491187 35.7440502
36.0118615 36.1668085 36.3705555 36.4640489 36.8211415
37.0430066 37.1374318 37.2967562 37.4088900 37.4831643
37.5929279 37.7511924 37.9475870 38.0199334 38.1105409
38.2762243 38.3977033 38.6537187 38.7865688 38.8497303
39.1945543 39.2358324 39.3646481 39.7662281 39.8985934
40.0729422 40.2672010 40.3005414 40.4501762 40.6440299
40.8057485 40.9060244 41.0126904 41.1635405 41.2162882
41.4751362 41.6245916 41.8927924 42.0510640 42.2446434
42.5701203 42.5961007 42.8034485 42.9007580 43.1843868
43.3003178 43.3506622 43.7363384 43.7950352 44.0811501
44.3941842 44.4896873 44.4991896 44.5868833 45.1219577
45.2046467 45.3987964 45.5024685 45.6674724 45.7973650
46.0308731 46.4004444 46.5242401 46.8886986 46.9062441
47.0071922 47.3004613 47.3823482 47.4535498 47.5109252
47.9073658 48.0032377 48.0669302 48.2686477 48.3504985
48.4433724 48.6459231 48.7428637 48.9651229 49.3782514
49.4157161 49.5019781 49.8226437 49.8995284 49.9284456
50.1156175 50.1709364 50.4528015 50.5066089 50.6663627
50.8419653 50.8672096 51.3650994 51.5282589 51.6420187
51.6719594 52.0148425 52.2627593 52.4915287 52.8694486
53.1045687 53.1803695 53.2971347 53.4390126 53.6158772
53.6589935 53.8902040 54.1579610 54.3629601 54.4272045
54.7129315 55.0823941 55.1490847 55.3071445 55.5891494
55.7039032 56.0900512 56.2913700 56.5925553 56.7753335
56.8826553 56.9678246 57.0603519 57.3050372 57.5549645
57.8222157 57.8640579 58.0825268 58.2331257 58.2436366
58.5854454 58.7612365 59.0249878 59.1528926 59.4476548
59.7443471 59.9110409 60.1181569 60.1865461 60.7232187
60.8905748 60.9700786 61.4197227 61.5861108 61.8324698
61.9933587 62.0373196 62.3777131 62.4269959 62.8636524
63.1470267 63.4283813 63.4744235 63.7909236 63.9135914
64.1333772 64.4561808 64.4724064 64.6364229 64.8294972
65.1598517 65.4468539 65.6588790 65.9089786 66.0625251
66.4423492 66.7667271 66.9737220 67.4214560 67.5464123
67.6085401 67.9217793 68.5239255 68.7303841 69.0916005
69.7952770 69.8847860 70.4124358 70.7147709 70.9864003
71.3697165 71.4380762 71.6325806 71.8711632 72.4569025
72.6715726 72.8069662 73.1731062 73.4673795 73.8808632
73.8856816 74.2357340 74.5050398 75.0324633 75.3032985
75.5716764 75.8942547 76.4678624 76.7752714 77.5982575
78.0192237 78.2858248 78.5412709 78.7835342 79.4116267
79.6862668 80.5465823 80.7101057 81.1202116 81.7497142
82.0707999 82.4168179 82.7563176 83.3782646 83.9028963
84.5905663 84.6803183 84.9916482 85.3910006 86.2842011
86.3564487 86.8880279 87.6610530 88.4167809 88.7712813
89.2827961 89.9202314 90.6676964 91.2336966 91.6416013
92.7786755 93.3633451 93.6765034 94.5175320 94.8062474
95.7820438 95.8870923 96.5926385 97.7765460 100.0659426
100.2323170 101.6964986 102.7965788 104.7511708 106.5871396
107.8869701 112.8071719
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034254 0.0034293 0.0034320 0.0034344 0.0034354
0.0034457 4.2607307 28.1972429 30.3936207 35.4853078
42.0228786 43.9822204 47.2375428 51.7488534 54.9906971
56.1937466 59.8230990 63.8729764 69.1950475 70.9751424
73.6410458 75.6037979 79.0719305 83.2564392 87.5265330
90.8169911 95.9880530 99.2730306 102.3385315 105.0126803
107.0305230 108.4424499 111.2240787 113.9041839 116.5809292
121.0655476 124.5711047 126.2606371 129.7479702 132.7171313
135.8308146 138.2471682 141.1253650 142.8566928 144.2943508
146.9801170 152.1847660 153.2280467 155.0051486 157.3954822
159.0031601 163.0191054 165.4855437 170.0495544 170.9702469
171.4311410 175.3525530 175.9901519 181.0598758 184.1431305
186.2615275 191.4218861 193.8166611 195.3780788 196.4036419
198.9318304 201.9486984 206.0361443 206.7228401 208.2482535
213.4467282 213.7619265 214.3625204 216.9322470 220.7170738
221.2889517 223.9123635 228.5855568 230.2352657 232.7889958
233.6670408 237.0548128 238.3644285 240.7881763 243.9868923
246.2432486 248.3305303 251.4977471 253.4017049 255.3193892
259.4156257 261.9267982 262.4759994 263.1213525 267.2202504
268.0177744 271.7081732 273.3384672 275.6966721 277.2294474
278.1891239 280.9148035 282.9726039 284.2639183 285.6862553
286.8819776 289.3411579 291.4596305 294.0634668 295.6913107
297.1292594 301.4682953 302.2545701 306.0352810 309.3715271
310.7161013 312.9284810 314.9836689 316.1913253 318.1054996
319.0244298 322.1722781 323.6976760 323.9470624 326.9561935
327.8049936 329.3172645 330.7206015 331.5484246 334.8762540
336.6504281 339.0950782 339.8679708 341.6338622 346.1778369
347.4482104 349.9757982 350.7548475 354.4717763 354.9923725
357.2382546 357.9761514 362.0195771 363.4891697 365.3478761
365.9152739 368.3645624 369.9684688 370.1325800 370.4439886
373.4656923 374.1137434 375.5780386 377.8366168 378.3583291
380.9685669 381.7561787 384.0170906 386.6190210 387.7863689
391.1578955 392.1111697 393.3384258 394.2022731 396.6857845
398.9975252 400.0464004 402.3872758 404.3013251 404.4254608
406.1129028 408.1143398 409.2560763 412.4864485 413.5272045
414.9083059 415.8675984 418.5461595 419.9841006 422.1540228
425.0188573 426.1756158 427.6731464 428.2749167 431.6350364
432.5616542 433.1798972 435.7575544 436.0015470 438.8365150
439.8162821 442.8733947 442.9991372 443.4680845 444.6323137
446.3980454 448.0469777 449.6502888 450.0664090 451.5956391
452.8838712 454.8613915 456.8762118 458.6988861 459.2479674
461.2865639 463.9865034 464.4913431 466.1347529 468.3520939
468.6951416 470.9551030 471.7629634 472.5561323 475.0229641
475.3585324 478.2705342 479.1851658 479.5652568 480.6545623
482.2611935 482.4736309 485.4595511 486.6336265 488.3059236
488.6979144 491.5986379 492.8813459 494.3011448 495.5581228
495.7914827 497.0890640 499.6965763 500.9711838 502.7980191
505.2474107 505.9794370 507.0638058 508.1050431 509.9813198
510.9022287 512.3570920 514.4865958 515.1388172 516.4991531
517.1090022 519.2513856 519.4483171 520.3977782 521.5866313
523.3403862 525.7925878 526.7083333 528.2241148 528.8543718
529.9323835 531.3347687 532.2147018 533.9003972 535.1923556
536.0577584 537.4303209 538.2390575 540.1396303 541.3212703
542.2444243 544.6298840 545.3136454 547.4866436 548.4815237
550.2888957 550.8746732 551.8596653 552.2507407 553.7012236
554.7452699 554.8574550 557.0615530 558.1951323 558.7869573
560.4815812 561.6172634 562.8424078 563.9767897 564.8147429
566.6208350 568.1346683 569.0272945 570.5074247 570.8454754
571.6533932 573.7488974 574.1192328 575.1538018 576.1483167
577.8394830 578.4460730 580.1713466 580.4007249 580.9386393
581.5944980 583.5751417 585.9341766 587.5913902 589.4067490
590.4175459 590.8087054 592.1840823 593.8343212 594.6391648
596.5309122 597.7473885 599.3646049 599.4404248 600.4698050
602.3005888 603.2305913 603.9808227 604.5119655 605.6550196
606.0006784 608.6992080 610.6292606 610.7573588 611.6419708
614.9087071 616.0694136 616.2714567 617.5179021 618.6562048
619.5083608 620.7942622 623.3696380 625.0066594 627.2605689
628.0174859 629.8464495 631.1032263 632.8627931 634.7966563
637.2036920 638.5885556 639.5461380 642.4939296 644.6376288
644.8522873 645.8782544 646.6575984 647.4551648 649.2278790
651.6555014 653.0559242 654.8928477 655.7340349 658.9370154
660.9192399 661.7610684 663.1790698 664.1752547 664.8342792
665.8069988 667.2070358 668.9403035 669.5776616 670.3750414
671.8306693 672.8959345 675.1354632 676.2946647 676.8450922
679.8422413 680.2001380 681.3158100 684.7822273 685.9209586
687.4179926 689.0821520 689.3673663 690.6459814 692.2989315
693.6748585 694.5266527 695.4315829 696.7093534 697.1555988
699.3413225 700.6002262 702.8536996 704.1801437 705.7991073
708.5128302 708.7289981 710.4518672 711.2589810 713.6062724
714.5634895 714.9787733 718.1521929 718.6339329 720.9775447
723.5329601 724.3107931 724.3881399 725.1015576 729.4394496
730.1075173 731.6737088 732.5086524 733.8355856 734.8784733
736.7495623 739.7012458 740.6873447 743.5828590 743.7219684
744.5218296 746.8406847 747.4868727 748.0482880 748.5003780
751.6167090 752.3683982 752.8673681 754.4454541 755.0848528
755.8097063 757.3881478 758.1424258 759.8689606 763.0678101
763.3572360 764.0232189 766.4938324 767.0850183 767.3072527
768.7441485 769.1683114 771.3259155 771.7371119 772.9566609
774.2949827 774.4871872 778.2683096 779.5034010 780.3633881
780.5895721 783.1751952 785.0393891 786.7556865 789.5827847
791.3365467 791.9011171 792.7700071 793.8244898 795.1370464
795.4566949 797.1686189 799.1465571 800.6575962 801.1305524
803.2306510 805.9380947 806.4258389 807.5806392 809.6369025
810.4721461 813.2764537 814.7346548 816.9113543 818.2294888
819.0024686 819.6153777 820.2807186 822.0375942 823.8282409
825.7387112 826.0374235 827.5953291 828.6675470 828.7423300
831.1705527 832.4166209 834.2826910 835.1861308 837.2644347
839.3511502 840.5212790 841.9728918 842.4516608 846.1993201
847.3646007 847.9176152 851.0384970 852.1904635 853.8932436
855.0034428 855.3065405 857.6498274 857.9885626 860.9840086
862.9223818 864.8426414 865.1564758 867.3107422 868.1442461
869.6356505 871.8214793 871.9312049 873.0395877 874.3425363
876.5674183 878.4957556 879.9176156 881.5918585 882.6181728
885.1518268 887.3098941 888.6842800 891.6498560 892.4757480
892.8860939 894.9521330 898.9103841 900.2635478 902.6261409
907.2109799 907.7925203 911.2131200 913.1672964 914.9194432
917.3863333 917.8255761 919.0742082 920.6034907 924.3472692
925.7155513 926.5774948 928.9044127 930.7703813 933.3859533
933.4163897 935.6249271 937.3204789 940.6322885 942.3284002
944.0061171 946.0187203 949.5869888 951.4937947 956.5799301
959.1711168 960.8085213 962.3748004 963.8578966 967.6923919
969.3642987 974.5830168 975.5718006 978.0472081 981.8347561
983.7610267 985.8326590 987.8610432 991.5661812 994.6808499
998.7487447 999.2784489 1001.1137032 1003.4629259 1008.6974466
1009.1196601 1012.2207836 1016.7135741 1021.0867245 1023.1316616
1026.0751545 1029.7314760 1034.0024582 1037.2248572 1039.5409812
1045.9703272 1049.2608819 1051.0191186 1055.7266062 1057.3378002
1062.7652126 1063.3478442 1067.2527806 1073.7733625 1086.2716010
1087.1742690 1095.0861352 1100.9931344 1111.4110826 1121.1086002
1127.9238466 1153.3566817
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404140238574142651.eigenfacs
Openam> file on opening on unit 10:
2404140238574142651.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404140238574142651.atom
Openam> file on opening on unit 11:
2404140238574142651.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 = 192
First residue number = 97
Last residue number = 288
Number of atoms found = 199
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: 9.9731E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9885E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0069E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.5395E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 6.7425E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 7.8338E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1498
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1640
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1892
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2271
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2564
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2678
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3035
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3460
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4272
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4599
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4847
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5302
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5878
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6497
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6994
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7813
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8357
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8882
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9352
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9715
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9973
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.049
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.100
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.153
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.316
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.352
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.428
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.494
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.565
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.621
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.689
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.731
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.766
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.832
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.964
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.991
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 2.038
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.101
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.254
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.322
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.479
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.492
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.627
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.780
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.876
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.942
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.107
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.186
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.237
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.271
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.356
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.459
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.600
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.624
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.678
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.864
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.875
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.897
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.991
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.131
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.153
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.252
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.495
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.596
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.630
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.765
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.818
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 5.048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.230
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.364
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.445
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.528
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.707
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.818
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.842
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 6.055
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.092
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.261
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.336
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.446
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.518
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.563
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.790
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.853
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.921
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.979
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 597 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 : 0.001540
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= 0.162 for 199 C-alpha atoms.
Bfactors> = 60.160 +/- 479.09
Bfactors> = 16.015 +/- 6.67
Bfactors> Shiftng-fct= -44.145
Bfactors> Scaling-fct= 0.014
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404140238574142651 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=0
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=100
2404140238574142651.eigenfacs
2404140238574142651.atom
making animated gifs
11 models are in 2404140238574142651.7.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 2404140238574142651.7.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 2404140238574142651.7.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 2404140238574142651 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=0
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=100
2404140238574142651.eigenfacs
2404140238574142651.atom
making animated gifs
11 models are in 2404140238574142651.8.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 2404140238574142651.8.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 2404140238574142651.8.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 2404140238574142651 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=0
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=100
2404140238574142651.eigenfacs
2404140238574142651.atom
making animated gifs
11 models are in 2404140238574142651.9.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 2404140238574142651.9.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 2404140238574142651.9.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 2404140238574142651 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=0
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=100
2404140238574142651.eigenfacs
2404140238574142651.atom
making animated gifs
11 models are in 2404140238574142651.10.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 2404140238574142651.10.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 2404140238574142651.10.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 2404140238574142651 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=0
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=100
2404140238574142651.eigenfacs
2404140238574142651.atom
making animated gifs
11 models are in 2404140238574142651.11.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 2404140238574142651.11.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 2404140238574142651.11.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 2404140238574142651 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=0
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=100
2404140238574142651.eigenfacs
2404140238574142651.atom
making animated gifs
11 models are in 2404140238574142651.12.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 2404140238574142651.12.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 2404140238574142651.12.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 2404140238574142651 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=0
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=100
2404140238574142651.eigenfacs
2404140238574142651.atom
making animated gifs
11 models are in 2404140238574142651.13.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 2404140238574142651.13.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 2404140238574142651.13.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 2404140238574142651 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=0
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=100
2404140238574142651.eigenfacs
2404140238574142651.atom
making animated gifs
11 models are in 2404140238574142651.14.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 2404140238574142651.14.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 2404140238574142651.14.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 2404140238574142651 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=0
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=100
2404140238574142651.eigenfacs
2404140238574142651.atom
making animated gifs
11 models are in 2404140238574142651.15.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 2404140238574142651.15.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 2404140238574142651.15.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 2404140238574142651 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=-20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=0
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=20
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=40
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=60
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=80
2404140238574142651.eigenfacs
2404140238574142651.atom
calculating perturbed structure for DQ=100
2404140238574142651.eigenfacs
2404140238574142651.atom
making animated gifs
11 models are in 2404140238574142651.16.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 2404140238574142651.16.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 2404140238574142651.16.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
2404140238574142651.10.pdb
2404140238574142651.11.pdb
2404140238574142651.12.pdb
2404140238574142651.13.pdb
2404140238574142651.14.pdb
2404140238574142651.15.pdb
2404140238574142651.16.pdb
2404140238574142651.7.pdb
2404140238574142651.8.pdb
2404140238574142651.9.pdb
STDERR:
real 0m3.144s
user 0m3.132s
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: 2404140238574142651.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
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
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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