*** ***
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 = 2402180042123244403.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 2402180042123244403.atom to be opened.
Openam> File opened: 2402180042123244403.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 = 182
First residue number = 97
Last residue number = 287
Number of atoms found = 200
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 1.981225 +/- 7.208174 From: -13.191000 To: 20.163000
= 15.894715 +/- 10.284988 From: -4.521000 To: 38.275000
= -11.753125 +/- 9.209482 From: -32.879000 To: 7.859000
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 6.1314 % Filled.
Pdbmat> 11055 non-zero elements.
Pdbmat> 1095 atom-atom interactions.
Pdbmat> Number per atom= 10.95 +/- 3.77
Maximum number = 20
Minimum number = 3
Pdbmat> Matrix trace = 21900.0
Pdbmat> Larger element = 76.0599
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 200 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) = 600
Diagstd> Number of non-zero elements 11055
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 21900.0000006
%Diagstd-Wn: Nb on non-zero elements there: 600
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 600 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 21900.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0016339 0.0614959 0.1029059 0.1111343
0.1420025 0.1959773 0.2115554 0.2471457 0.2916602
0.3086588 0.3300933 0.3652056 0.3919125 0.4193544
0.4832908 0.5243285 0.5509630 0.6405674 0.6925774
0.7395665 0.7709292 0.8547268 0.8817186 0.8961187
0.9779151 1.0124402 1.0765357 1.1263901 1.1770356
1.2138651 1.3246765 1.3997333 1.4709772 1.5561955
1.5996931 1.6825896 1.7503000 1.8443867 1.9028143
1.9384754 2.0304634 2.0512529 2.1220729 2.1874533
2.3324071 2.3809062 2.4280365 2.4963848 2.5722704
2.6067728 2.7761091 2.8593654 2.9461951 2.9658285
3.0187088 3.2199937 3.3678912 3.4509426 3.5598774
3.6608243 3.8375516 3.8672406 4.0784743 4.0890455
4.2618767 4.3182933 4.3805975 4.5165047 4.6097621
4.6780531 4.8376603 4.8888982 4.9668439 5.0213562
5.1134994 5.1671739 5.2589942 5.3536589 5.5036512
5.6120420 5.6904970 5.7445428 5.9085981 5.9492310
6.1401189 6.1601899 6.2485284 6.3310840 6.3877129
6.5701424 6.6115473 6.7159244 6.7464993 6.8256440
6.9915693 7.1234901 7.1449667 7.3142295 7.3678444
7.5184163 7.5934058 7.7116394 7.8192559 8.0055274
8.0751897 8.2603450 8.3777307 8.5529326 8.6338216
8.7735657 8.8119342 8.8831113 8.9622206 9.2074471
9.3611795 9.5902817 9.6019787 9.7243675 9.8745271
10.0050268 10.1575740 10.2427670 10.4683220 10.5986083
10.6334115 10.7312194 10.8415770 10.8926874 10.9556525
11.1390537 11.1645479 11.1724168 11.3372730 11.4778831
11.6923121 11.7259705 11.8853277 11.9610507 12.0237989
12.1965447 12.3087764 12.3771741 12.4305340 12.5287967
12.6202599 12.8304793 12.9536566 13.2017427 13.2774414
13.4157964 13.4946563 13.6425130 13.7468740 13.8163804
14.0733893 14.1424344 14.3410645 14.4599803 14.6012478
14.7124027 14.7651994 14.9905792 15.1924101 15.2572861
15.5061788 15.5223469 15.6513087 15.7114303 15.8714036
15.9276944 15.9811594 16.2739847 16.4207200 16.4827263
16.5591361 16.7755251 16.8716052 16.9303752 16.9935323
17.0311993 17.1877709 17.2314916 17.3352218 17.4274704
17.5627434 17.6101741 17.7546197 17.9250945 17.9830342
18.1050379 18.2359532 18.3677056 18.5584457 18.7224062
18.8187461 18.8774199 18.8969959 19.0471676 19.1966313
19.5598339 19.6476617 19.7239289 19.7680586 19.7782848
19.9354314 20.0387426 20.0428142 20.2292603 20.3720226
20.5860180 20.6464387 20.8538033 21.0308104 21.0914437
21.3497267 21.4181729 21.6147376 21.6779559 21.8513101
21.9423864 22.0207174 22.0481561 22.1779985 22.2517933
22.3104995 22.3658267 22.5416393 22.6371459 22.8109685
22.8206904 22.9900665 23.0640385 23.1249296 23.3548602
23.4050802 23.5393570 23.6553712 23.7565905 23.9263517
23.9893217 24.0496723 24.1346562 24.2512062 24.3414767
24.3935698 24.4587866 24.5862134 24.7924410 25.0075114
25.0319113 25.1315769 25.2542905 25.3729555 25.4275984
25.5280475 25.6439591 25.8980675 25.9275438 25.9906522
26.1360130 26.3040120 26.4700113 26.5267626 26.7250938
26.8218783 26.8997524 26.9608653 26.9640629 27.0977633
27.3185877 27.4973291 27.5881625 27.7338052 27.7503275
27.8747970 27.9938675 28.2077023 28.3849832 28.7506459
28.8905615 28.9672586 29.0818542 29.1285551 29.1936375
29.2833206 29.4420961 29.6697951 29.8267141 29.9804920
30.0397319 30.3037746 30.3962323 30.5261354 30.7316882
31.0195099 31.0894811 31.2134370 31.2732438 31.4129302
31.4840539 31.7646918 31.8609941 32.0465404 32.1473345
32.3216598 32.3581792 32.4363759 32.5591411 32.6638220
32.8721680 33.0193478 33.1128004 33.2171957 33.2804316
33.4955583 33.5594917 33.6433440 33.7458886 33.8489376
33.9956776 34.1796448 34.4416434 34.6191571 34.8338260
34.8998245 34.9881981 35.2711481 35.3300535 35.4932134
35.5995479 35.9192135 36.0647274 36.2435099 36.4456087
36.5115260 36.6882012 36.7989224 36.9131030 37.0429796
37.2424126 37.3572094 37.7033539 38.0018214 38.1822570
38.3101093 38.5403256 38.5862767 38.6978758 38.7641715
39.0908949 39.1659215 39.4077914 39.6253604 39.6555425
39.7920175 40.0391740 40.1573945 40.4090534 40.4195884
40.4757812 40.5585770 40.7610902 40.9659505 41.1558461
41.2307621 41.4882782 41.6075694 41.9642156 41.9860597
42.1320810 42.1709038 42.5379553 42.6221164 42.7540357
42.9666166 43.0496607 43.3385701 43.4437253 43.7110092
43.8058605 43.9266054 44.3894583 44.5391108 44.6565818
44.8947520 44.9829832 45.1568258 45.2507135 45.3916900
45.7252357 46.0153843 46.0530709 46.1896200 46.3551984
46.6259437 46.7477021 46.8506469 46.9202714 47.2451246
47.3133979 47.4515561 47.7693904 47.8551979 48.0156706
48.3585260 48.4826309 48.5664709 48.8628296 49.0541860
49.2996394 49.4328616 49.5748093 49.8152146 49.9679419
50.1031399 50.2655689 50.4002843 50.8127044 51.0080432
51.0779421 51.3024647 51.4282052 51.7886570 52.2161417
52.3397961 52.5260312 52.8338240 52.9277111 53.1364693
53.2024171 53.4822437 53.4872141 53.7543647 53.8212377
54.1780655 54.4242036 54.6481814 54.8519724 55.0364040
55.1762567 55.2633303 55.2859845 55.3104504 55.7403752
55.7690880 55.9071485 56.0953641 56.3046808 56.4758528
56.4979325 56.6814847 56.8224041 57.0597703 57.2994278
57.6581166 58.0082500 58.0089707 58.2490530 58.3677140
58.4105525 58.5967788 58.7124602 58.8108507 59.4570822
59.7336537 59.7939754 60.0030448 60.0777198 60.4332546
60.7071561 60.8923851 60.9405712 61.1906666 61.2783504
61.3845797 61.5509280 61.9514972 62.2558248 62.5283013
62.6991078 62.9277997 63.1657077 63.2807028 63.5898366
63.7893304 63.8908903 64.3120316 64.4444196 64.7397392
64.9028419 65.1392738 65.7445152 65.8568855 66.0600562
66.2731643 66.6074827 66.9831413 67.2951547 67.3168847
67.6843313 67.9141718 68.3119766 68.7321429 69.0096764
69.2916560 69.4683817 69.9147647 70.2277655 70.2660844
70.4414818 70.7769159 71.0779315 71.5084317 71.9656536
72.3628059 72.4645019 72.9468613 73.0543181 73.3567792
74.2742389 74.3510006 74.4817547 74.9253107 75.0897702
75.4441783 75.6206853 75.8232652 76.1889199 76.6314348
76.7623012 77.3178312 77.5422195 77.5537884 78.2247409
78.3025555 78.9663028 79.4989027 79.7137336 80.0841527
80.7952576 81.3033324 81.6712307 81.8122360 81.8557696
81.9954010 82.0529261 82.3971974 82.4804952 83.1611478
83.8041834 84.1613362 84.6462699 84.9536682 85.0804922
85.4557726 85.8465346 86.3187130 86.4246803 87.0211046
87.0947046 87.5389314 88.7772528 89.5395211 90.2308317
90.6416628 90.9982065 91.6611191 92.1119996 92.9905743
93.0667612 94.5830100 94.7550902 95.8760639 96.2765373
97.6768133 98.3909448 99.5245819 100.3731891 100.6940799
101.2073991 102.6922561 104.4122449 105.2815600 105.6587631
106.2020115 107.9775330 108.6891684 109.6287205 110.7582951
113.4128007 115.3512668 117.5096772 120.3917240 130.6560262
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034189 0.0034218 0.0034237 0.0034283 0.0034328
0.0034414 4.3893690 26.9288884 34.8349609 36.2008968
40.9207191 48.0726581 49.9467675 53.9848417 58.6453847
60.3301815 62.3898085 65.6241943 67.9813605 70.3211339
75.4917563 78.6315854 80.6039813 86.9115893 90.3710705
93.3864536 95.3460115 100.3942718 101.9671497 102.7964349
107.3855525 109.2647243 112.6703127 115.2496723 117.8121479
119.6411265 124.9827862 128.4747953 131.7037829 135.4650819
137.3452418 140.8589279 143.6651804 147.4759739 149.7936771
151.1908232 154.7365330 155.5266738 158.1886884 160.6070777
165.8431210 167.5584858 169.2087785 171.5738296 174.1620737
175.3262202 180.9312344 183.6242822 186.3914685 187.0114940
188.6713211 194.8600420 199.2848602 201.7270557 204.8862446
207.7708999 212.7268919 213.5481818 219.3027854 219.5868115
224.1794082 225.6583181 227.2803842 230.7791210 233.1495247
234.8701653 238.8432460 240.1047636 242.0112392 243.3356815
245.5581680 246.8435695 249.0271075 251.2584225 254.7538357
257.2502090 259.0421161 260.2693425 263.9596262 264.8656857
269.0813952 269.5208266 271.4464431 273.2337346 274.4529941
278.3445166 279.2201999 281.4156067 282.0554662 283.7050706
287.1326738 289.8289037 290.2654763 293.6835163 294.7579338
297.7545903 299.2358230 301.5564596 303.6532912 307.2488416
308.5827511 312.1004340 314.3102019 317.5797517 319.0779671
321.6498442 322.3523968 323.6516543 325.0896146 329.5071911
332.2466169 336.2876847 336.4927015 338.6304138 341.2348922
343.4823360 346.0909779 347.5393036 351.3450313 353.5246501
354.1046185 355.7294476 357.5538924 358.3957089 359.4300677
362.4260690 362.8405789 362.9684237 365.6365333 367.8969426
371.3175526 371.8516215 374.3698452 375.5605326 376.5443476
379.2396051 380.9804778 382.0375320 382.8601563 384.3704225
385.7708685 388.9705499 390.8332190 394.5580528 395.6876326
397.7438826 398.9111672 401.0905857 402.6217722 403.6383487
407.3752413 408.3733249 411.2311222 412.9325618 414.9447416
416.5211723 417.2678636 420.4404441 423.2613555 424.1641168
427.6098241 427.8326976 429.6062677 430.4306036 432.6163695
433.3828658 434.1096315 438.0687083 440.0392120 440.8692458
441.8899436 444.7678033 446.0396666 446.8158513 447.6484771
448.1443193 450.1995520 450.7717764 452.1265203 453.3279090
455.0838865 455.6979817 457.5630720 459.7545193 460.4969573
462.0564100 463.7239378 465.3960950 467.8063150 469.8682638
471.0756126 471.8094097 472.0539809 473.9259417 475.7817641
480.2615978 481.3386287 482.2719397 482.8111485 482.9360142
484.8507808 486.1054767 486.1548585 488.4108252 490.1312067
492.6987436 493.4212578 495.8929305 497.9930535 498.7104104
501.7546894 502.5583471 504.8591871 505.5969484 507.6145012
508.6712699 509.5784012 509.8957799 511.3949731 512.2450723
512.9203462 513.5559416 515.5704623 516.6615178 518.6413543
518.7518634 520.6734031 521.5103804 522.1983435 524.7880245
525.3519477 526.8567858 528.1535026 529.2822581 531.1699789
531.8684932 532.5370917 533.4771694 534.7637407 535.7580940
536.3310750 537.0475430 538.4446970 540.6982006 543.0383716
543.3032287 544.3837465 545.7111987 546.9917918 547.5804721
548.6609866 549.9051898 552.6230040 552.9374034 553.6099272
555.1558868 556.9372647 558.6918594 559.2904519 561.3773669
562.3929578 563.2087867 563.8481938 563.8816290 565.2778946
567.5764956 569.4302517 570.3699911 571.8735507 572.0438707
573.3253398 574.5485482 576.7387555 578.5482720 582.2628517
583.6779291 584.4521744 585.6070911 586.0770984 586.7314740
587.6320051 589.2229354 591.4970107 593.0591162 594.5859714
595.1731167 597.7831152 598.6943473 599.9722906 601.9889086
604.8013423 605.4830878 606.6889383 607.2698861 608.6246039
609.3132245 612.0228025 612.9498474 614.7320497 615.6980311
617.3651462 617.7138209 618.4597526 619.6290211 620.6243066
622.6004846 623.9927240 624.8751237 625.8593757 626.4548199
628.4762798 629.0757835 629.8612030 630.8203784 631.7828046
633.1507584 634.8615909 637.2901601 638.9303599 640.9082607
641.5151274 642.3268387 644.9188613 645.4571679 646.9458635
647.9142352 650.8167020 652.1336449 653.7480478 655.5682083
656.1607863 657.7464149 658.7381730 659.7593555 660.9189992
662.6957475 663.7163154 666.7841570 669.4181553 671.0054974
672.1279813 674.1444600 674.5462273 675.5209825 676.0993736
678.9426428 679.5938729 681.6890660 683.5682663 683.8285487
685.0042402 687.1282988 688.1419654 690.2948271 690.3848042
690.8645366 691.5707795 693.2951719 695.0351973 696.6442350
697.2779974 699.4521127 700.4569574 703.4525930 703.6356572
704.8581663 705.1828383 708.2451111 708.9453947 710.0416721
711.8047118 712.4922533 714.8790492 715.7458025 717.9442091
718.7227439 719.7125932 723.4944482 724.7129997 725.6680782
727.6006338 728.3152560 729.7212331 730.4794384 731.6164411
734.2995409 736.6255988 736.9271852 738.0188852 739.3405090
741.4964868 742.4640232 743.2810766 743.8331646 746.4036931
746.9428077 748.0325734 750.5335830 751.2073670 752.4658238
755.1475323 756.1158982 756.7693833 759.0748229 760.5597127
762.4601523 763.4896539 764.5850576 766.4366835 767.6106849
768.6484432 769.8933727 770.9243683 774.0721371 775.5585890
776.0898006 777.7936540 778.7462430 781.4705292 784.6891894
785.6177613 787.0142099 789.3167206 790.0177277 791.5741939
792.0652534 794.1455184 794.1824203 796.1632866 796.6583654
799.2948732 801.1084667 802.7552182 804.2506208 805.6015727
806.6244777 807.2606937 807.4261379 807.6047746 810.7374301
810.9462159 811.9493741 813.3149696 814.8309764 816.0686213
816.2281304 817.5529484 818.5686022 820.2765381 821.9973602
824.5661579 827.0659898 827.0711276 828.7808635 829.6246025
829.9289941 831.2509443 832.0710644 832.7679664 837.3308196
839.2760312 839.6996933 841.1664152 841.6896774 844.1765266
846.0873941 847.3771968 847.7124093 849.4501009 850.0584979
850.7949896 851.9470099 854.7147203 856.8114780 858.6844443
859.8564645 861.4231796 863.0500130 863.8352599 865.9426585
867.2999113 867.9900569 870.8460668 871.7419363 873.7370523
874.8369890 876.4289942 880.4912489 881.2433938 882.6016797
884.0241588 886.2511070 888.7467706 890.8142964 890.9581093
893.3864303 894.9020124 897.5191138 900.2750670 902.0908455
903.9319785 905.0839659 907.9872091 910.0174192 910.2656552
911.4010440 913.5684595 915.5091105 918.2774235 921.2084589
923.7468693 924.3957414 927.4672548 928.1501216 930.0695106
935.8675421 936.3510222 937.1739968 939.9603982 940.9914293
943.2094573 944.3121657 945.5761764 947.8534360 950.6020772
951.4134205 954.8499111 956.2344681 956.3057985 960.4336042
960.9111840 964.9752684 968.2240083 969.5313480 971.7813786
976.0862957 979.1505078 981.3633398 982.2101360 982.4714258
983.3090301 983.6538971 985.7153062 986.2134248 990.2743219
994.0955497 996.2115926 999.0775329 1000.8899953 1001.6368118
1003.8434341 1006.1359444 1008.8991554 1009.5182422 1012.9956402
1013.4239308 1016.0051298 1023.1660730 1027.5492908 1031.5083800
1033.8539999 1035.8853633 1039.6516760 1042.2055593 1047.1641007
1047.5929823 1056.0922260 1057.0524935 1063.2866922 1065.5050472
1073.2255949 1077.1417161 1083.3292297 1087.9379886 1089.6756574
1092.4496058 1100.4343235 1109.6116224 1114.2212478 1116.2154808
1119.0813333 1128.3971503 1132.1094437 1136.9921155 1142.8346813
1156.4485553 1166.2897652 1177.1507858 1191.4987664 1241.2521190
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402180042123244403.eigenfacs
Openam> file on opening on unit 10:
2402180042123244403.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402180042123244403.atom
Openam> file on opening on unit 11:
2402180042123244403.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 = 182
First residue number = 97
Last residue number = 287
Number of atoms found = 200
Mean number per residue = 1.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9126E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9291E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9400E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9671E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9930E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0043E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6339E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 6.1496E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1029
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1420
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1960
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2116
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3087
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3301
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3652
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3919
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4833
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6406
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6926
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7396
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8547
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8817
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8961
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9779
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.012
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.077
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.177
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.214
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.325
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.400
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.556
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.600
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.683
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.750
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.844
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.903
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.938
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 2.030
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 2.051
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 2.122
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.187
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.332
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.381
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.428
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.496
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.572
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.607
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.776
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.859
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.946
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.966
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 3.019
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.220
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.451
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.560
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.661
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.838
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.867
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 4.078
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 4.089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 4.262
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 4.318
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 4.381
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.517
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.610
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.678
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.838
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.889
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.967
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 5.021
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 5.113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 5.167
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 5.259
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 5.354
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 5.504
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.612
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.690
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.745
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.909
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 6.140
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 6.160
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 6.249
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 6.331
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 6.388
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.570
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.612
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.716
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.746
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.826
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.992
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 7.123
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 7.145
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 7.314
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 7.368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 7.518
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 600 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 : 0.001634
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= 0.143 for 200 C-alpha atoms.
Bfactors> = 56.419 +/- 412.88
Bfactors> = 17.130 +/- 6.30
Bfactors> Shiftng-fct= -39.289
Bfactors> Scaling-fct= 0.015
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402180042123244403 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=0
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=100
2402180042123244403.eigenfacs
2402180042123244403.atom
making animated gifs
11 models are in 2402180042123244403.7.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 2402180042123244403.7.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 2402180042123244403.7.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 2402180042123244403 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=0
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=100
2402180042123244403.eigenfacs
2402180042123244403.atom
making animated gifs
11 models are in 2402180042123244403.8.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 2402180042123244403.8.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 2402180042123244403.8.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 2402180042123244403 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=0
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=100
2402180042123244403.eigenfacs
2402180042123244403.atom
making animated gifs
11 models are in 2402180042123244403.9.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 2402180042123244403.9.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 2402180042123244403.9.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 2402180042123244403 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=0
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=100
2402180042123244403.eigenfacs
2402180042123244403.atom
making animated gifs
11 models are in 2402180042123244403.10.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 2402180042123244403.10.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 2402180042123244403.10.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 2402180042123244403 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=0
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=100
2402180042123244403.eigenfacs
2402180042123244403.atom
making animated gifs
11 models are in 2402180042123244403.11.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 2402180042123244403.11.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 2402180042123244403.11.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 2402180042123244403 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=0
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=100
2402180042123244403.eigenfacs
2402180042123244403.atom
making animated gifs
11 models are in 2402180042123244403.12.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 2402180042123244403.12.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 2402180042123244403.12.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 2402180042123244403 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=0
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=100
2402180042123244403.eigenfacs
2402180042123244403.atom
making animated gifs
11 models are in 2402180042123244403.13.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 2402180042123244403.13.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 2402180042123244403.13.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 2402180042123244403 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=0
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=100
2402180042123244403.eigenfacs
2402180042123244403.atom
making animated gifs
11 models are in 2402180042123244403.14.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 2402180042123244403.14.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 2402180042123244403.14.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 2402180042123244403 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=0
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=100
2402180042123244403.eigenfacs
2402180042123244403.atom
making animated gifs
11 models are in 2402180042123244403.15.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 2402180042123244403.15.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 2402180042123244403.15.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 2402180042123244403 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=-20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=0
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=20
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=40
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=60
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=80
2402180042123244403.eigenfacs
2402180042123244403.atom
calculating perturbed structure for DQ=100
2402180042123244403.eigenfacs
2402180042123244403.atom
making animated gifs
11 models are in 2402180042123244403.16.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 2402180042123244403.16.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 2402180042123244403.16.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
2402180042123244403.10.pdb
2402180042123244403.11.pdb
2402180042123244403.12.pdb
2402180042123244403.13.pdb
2402180042123244403.14.pdb
2402180042123244403.15.pdb
2402180042123244403.16.pdb
2402180042123244403.7.pdb
2402180042123244403.8.pdb
2402180042123244403.9.pdb
STDERR:
real 0m3.057s
user 0m3.049s
sys 0m0.008s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2402180042123244403.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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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