*** ***
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 = 2404210033351576525.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 2404210033351576525.atom to be opened.
Openam> File opened: 2404210033351576525.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 183
First residue number = 1
Last residue number = 287
Number of atoms found = 201
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 2.005985 +/- 7.198605 From: -13.191000 To: 20.163000
= 15.820562 +/- 10.312845 From: -4.521000 To: 38.275000
= -11.780761 +/- 9.194993 From: -32.879000 To: 7.859000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> 1 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 6.1629 % Filled.
Pdbmat> 11223 non-zero elements.
Pdbmat> 1113 atom-atom interactions.
Pdbmat> Number per atom= 11.07 +/- 3.84
Maximum number = 20
Minimum number = 3
Pdbmat> Matrix trace = 22260.0
Pdbmat> Larger element = 76.0599
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 201 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) = 603
Diagstd> Number of non-zero elements 11223
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 22260.0000006
%Diagstd-Wn: Nb on non-zero elements there: 603
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 603 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 22260.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0016338 0.0616510 0.1029688 0.1112021
0.1424562 0.1973732 0.2117106 0.2492282 0.2935987
0.3089859 0.3381952 0.3667481 0.4122422 0.4307293
0.5144518 0.5258382 0.6072821 0.6750092 0.7285858
0.7436468 0.7864961 0.8556085 0.8916352 0.9488008
0.9857439 1.0164289 1.0832387 1.1278628 1.1783515
1.2194365 1.3424590 1.4578358 1.5114984 1.5664896
1.6155391 1.7027250 1.7826299 1.8501943 1.9060217
2.0416420 2.0735828 2.1338004 2.1761905 2.2643680
2.3995981 2.4244677 2.4890547 2.5034416 2.6264888
2.8088119 2.8682202 2.8934065 2.9810652 3.0259374
3.2613510 3.3850159 3.4675265 3.4925277 3.5914903
3.6742111 3.8411686 3.9993354 4.0921901 4.0978257
4.3312653 4.4185168 4.4353862 4.5402743 4.6407555
4.7474493 4.8834324 4.8891880 4.9884839 5.1214320
5.1756445 5.2703278 5.3494078 5.4043954 5.5805398
5.6386661 5.7013720 5.7965859 5.9383400 5.9911885
6.1691068 6.2232503 6.2984374 6.3783644 6.5371055
6.5715531 6.7129447 6.7686483 6.8291620 6.8876303
7.0447683 7.1563088 7.2490219 7.5169357 7.5988681
7.6137129 7.7068982 7.8012388 8.0454927 8.1051735
8.2099990 8.3781723 8.5692925 8.6732351 8.7383737
8.8073561 8.8896826 9.0348629 9.2907359 9.5995675
9.6244188 9.6601193 9.8233160 9.9676642 10.0985116
10.2165616 10.2938403 10.5336943 10.6736661 10.7276710
10.9021479 10.9113426 11.0004199 11.0745460 11.1800764
11.2463211 11.4436421 11.4780067 11.6132891 11.6781511
11.7676068 11.9023498 12.0239198 12.1397821 12.3063814
12.3288883 12.5059868 12.6373933 12.6805604 12.7417530
12.9521032 13.0461013 13.1554376 13.4450617 13.5148344
13.6078384 13.6901159 13.7195836 13.9347606 14.1339954
14.3107859 14.3694531 14.5284539 14.5901079 14.9228100
14.9758216 14.9929827 15.2367257 15.3731370 15.4742304
15.5354417 15.6132000 15.7373595 15.7743892 15.9407711
16.0841206 16.1598826 16.3493771 16.5820559 16.7256485
16.8533898 16.9429844 16.9867697 17.0078673 17.0882659
17.1994734 17.2693058 17.4291234 17.5852541 17.6407911
17.7800714 17.8418461 17.9671501 18.0823210 18.2010955
18.4700571 18.6307169 18.6795151 18.8819015 18.8885314
19.0136374 19.2373691 19.3573791 19.5063731 19.5788871
19.7058011 19.8375565 19.9907416 20.0418173 20.1390437
20.2274985 20.3364283 20.5021297 20.6644179 20.8685036
20.9037376 21.0967826 21.1727129 21.4050983 21.5574244
21.5646540 21.6493391 21.7394119 21.8988001 21.9916649
22.0421451 22.1777768 22.1807247 22.1959778 22.2971838
22.4572442 22.5540917 22.6280711 22.7171571 22.8344107
22.9623117 23.0553181 23.0888433 23.3170624 23.4428573
23.5595004 23.6955963 23.8202786 23.9507118 24.0143095
24.0783270 24.1280586 24.1922367 24.4078607 24.4795015
24.5693893 24.6793699 24.8372366 25.0168327 25.1239620
25.1847970 25.2269206 25.4232129 25.4822031 25.5251340
25.7420161 25.8532932 25.9539710 25.9984942 26.1613401
26.3790746 26.4575529 26.5976264 26.8406429 26.8736450
26.9093098 26.9537746 27.1351211 27.3686552 27.3795787
27.5438317 27.7439857 27.7504614 27.7781267 27.9751416
28.1104944 28.3331624 28.4585241 28.7595527 28.9093548
29.0655390 29.0817033 29.1959930 29.2718115 29.3136702
29.4988409 29.5958556 29.7034747 29.9720998 30.1979932
30.4216557 30.4583307 30.5920459 30.7375423 31.0315461
31.2134284 31.2507241 31.3807031 31.4132911 31.5816920
31.7196539 31.9270849 32.0559569 32.2757662 32.3382516
32.4375166 32.4873570 32.6080957 32.9155701 32.9811533
33.1272722 33.2046327 33.4485379 33.4974737 33.5734870
33.6386560 33.8270851 33.8424409 33.9054712 34.1988248
34.2074325 34.4496611 34.7852310 34.8838284 35.1686161
35.2308654 35.3523708 35.5035897 35.6081666 35.8466545
36.0149270 36.2526877 36.2915352 36.5671685 36.6993804
36.8052499 36.8580081 37.0117858 37.0935774 37.2462038
37.4496360 37.6194054 37.9798966 38.1888597 38.3749752
38.4549546 38.6381137 38.8509368 39.0810706 39.1559165
39.3262741 39.5369689 39.6722622 39.8118394 40.0253096
40.0908969 40.2959311 40.4187923 40.4468861 40.5833618
40.8527150 41.0822667 41.2586237 41.3617245 41.6372393
41.7564881 42.0648544 42.0863214 42.3724167 42.5242533
42.5274478 42.6426461 42.8216825 42.9076105 43.0663325
43.2613261 43.5408302 43.7078641 43.8346856 43.9267401
43.9754363 44.0739595 44.2033357 44.5024512 44.9133311
45.0102131 45.1583981 45.2767793 45.3747874 45.6530775
45.8668334 46.0174778 46.1442593 46.1896245 46.3454795
46.5801937 46.7432493 46.8722461 46.9311834 47.2284433
47.4127640 47.5297946 47.8553157 48.0159190 48.2285416
48.3118197 48.6079803 48.7071321 48.9686065 49.1415121
49.2466922 49.4000262 49.6549387 49.8912103 49.9288241
50.2048589 50.2979250 50.6157882 50.9537025 51.1754498
51.2299354 51.4109146 51.6939958 52.0348947 52.3552617
52.4663119 52.5594121 52.8449833 52.9760225 53.2165971
53.4398953 53.6696763 53.8471037 54.3708776 54.4446826
54.7397646 54.9012733 55.0761832 55.2393479 55.2636695
55.2703438 55.2889651 55.4063601 55.5348239 55.7690881
55.9447326 56.2087796 56.4720909 56.4924509 56.5585687
56.9594304 56.9696990 56.9748308 57.1488710 57.2301702
57.3976466 57.8997546 57.9978640 58.1300819 58.3448158
58.3678509 58.5866501 58.6721335 58.9556508 59.2331324
59.5938538 59.7557227 60.0089592 60.1775707 60.3848900
60.5804400 60.7827356 60.9129687 61.0613352 61.2506373
61.2769386 61.4484690 61.6974102 62.0489650 62.2745424
62.5873717 62.9885018 63.1989591 63.3841719 63.4492971
63.7341992 63.7894364 64.1385248 64.4527551 64.7053433
64.8768628 65.1753458 65.3047932 66.0321731 66.2798846
66.4458055 66.6299714 66.7382694 67.2072049 67.2960611
67.6875396 67.7692937 68.0413738 68.2815600 68.6469836
69.1916755 69.3654798 69.9400916 70.0337175 70.4236135
70.5255058 70.7547183 70.9226952 71.0913884 71.3194192
71.9991299 72.0368550 72.7961303 72.9516232 73.0445508
73.7656736 74.1591138 74.4737402 74.7733867 75.1160301
75.4350281 75.8632239 75.9995672 76.3140603 76.6353607
76.7637994 77.3157190 77.4392445 77.6357681 78.0234418
78.5203605 78.7627063 79.3797612 79.5890187 79.8146133
80.2242339 80.5015260 81.0944772 81.3593332 81.6729068
81.8165814 82.0529229 82.1139589 82.2343408 82.3975156
83.0117742 83.2341179 83.8791565 84.6380751 84.6575945
84.9536970 85.1093424 85.7008394 86.3748992 86.3945091
86.9696846 87.2828928 87.8793157 88.8006133 89.4856620
90.0312907 90.4966750 91.1347847 92.0477318 92.2758893
92.7679195 92.9518775 93.7829862 94.5888736 95.3027922
96.0276540 97.7231295 98.1345059 98.3464896 99.4375648
100.4182546 101.0135453 101.5295895 102.5861936 104.0414283
105.2776817 105.3604488 107.1124287 108.4091132 109.1395148
109.7040571 111.0668298 113.2288476 113.9295197 115.4223583
117.5154591 120.4163266 130.6588593
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034219 0.0034226 0.0034270 0.0034299 0.0034350
0.0034399 4.3893071 26.9628286 34.8456079 36.2119392
40.9860435 48.2435596 49.9650753 54.2118077 58.8399611
60.3621356 63.1508188 65.7626341 69.7222667 71.2684748
77.8874751 78.7447024 84.6234105 89.2175183 92.6905874
93.6437175 96.3038312 100.4460389 102.5389514 105.7749428
107.8145392 109.4797441 113.0205353 115.3249862 117.8779873
119.9153757 125.8188765 131.1141582 133.5054896 135.9123854
138.0238110 141.6992465 144.9859338 147.7079783 149.9198714
155.1618936 156.3709145 158.6251994 160.1930734 163.4062965
168.2149279 169.0843753 171.3217488 171.8161601 175.9880009
181.9938063 183.9083839 184.7140834 187.4912542 188.8970824
196.1074324 199.7908687 202.2111858 202.9388581 205.7939638
208.1504397 212.8271199 217.1646811 219.6712280 219.8224393
225.9969985 228.2619558 228.6972810 231.3855996 233.9319949
236.6058337 239.9705084 240.1118803 242.5378743 245.7485624
247.0458145 249.2953017 251.1586458 252.4462000 256.5271784
257.8596982 259.2895240 261.4456484 264.6231359 265.7980391
269.7158233 270.8968251 272.5283517 274.2520896 277.6438297
278.3743989 281.3531722 282.5180861 283.7781732 284.9903753
288.2230010 290.4957734 292.3714663 297.7252705 299.3434316
299.6356812 301.4637456 303.3032519 308.0148137 309.1551157
311.1478694 314.3184859 317.8833364 319.8054344 321.0041065
322.2686481 323.7713440 326.4044449 330.9941641 336.4504509
336.8856693 337.5099073 340.3488901 342.8403892 345.0833174
347.0944416 348.4046903 352.4403593 354.7742471 355.6706288
358.5513105 358.7024776 360.1636779 361.3751171 363.0928245
364.1669429 367.3477752 367.8989241 370.0606426 371.0926259
372.5112171 374.6378352 376.5462405 378.3560878 380.9434102
381.2916009 384.0203711 386.0326442 386.6913919 387.6232974
390.8097851 392.2253452 393.8654889 398.1774680 399.2092950
400.5805432 401.7897400 402.2219306 405.3638683 408.2514655
410.7967721 411.6379431 413.9091047 414.7864230 419.4890071
420.2334413 420.4741495 423.8782232 425.7714421 427.1690798
428.0131206 429.0829335 430.7856347 431.2921522 433.5607336
435.5057969 436.5302864 439.0822548 442.1956520 444.1061254
445.7988186 446.9822070 447.5593965 447.8372446 448.8944929
450.3527881 451.2661105 453.3494082 455.3754401 456.0939475
457.8909186 458.6856723 460.2935379 461.7664409 463.2805253
466.6909712 468.7163069 469.3297444 471.8654119 471.9482466
473.5086142 476.2863326 477.7696500 479.6048255 480.4954514
482.0502671 483.6591060 485.5229159 486.1427683 487.3205244
488.3895571 489.7028371 491.6938418 493.6360495 496.0676825
496.4862811 498.7735267 499.6702988 502.4049318 504.1894058
504.2739429 505.2631228 506.3131133 508.1658079 509.2421406
509.8262684 511.3924177 511.4264036 511.6022211 512.7672596
514.6044186 515.7128475 516.5579469 517.5737848 518.9077821
520.3590162 521.4117808 521.7907408 524.3631912 525.7757510
527.0821617 528.6023647 529.9912492 531.4403103 532.1454242
532.8542503 533.4042477 534.1131759 536.4881557 537.2749163
538.2604391 539.4638084 541.1864540 543.1395675 544.3012653
544.9598514 545.4154049 547.5332500 548.1681104 548.6296761
550.9555455 552.1450922 553.2191276 553.6934398 555.4248078
557.7313517 558.5603668 560.0370002 562.5896484 562.9354102
563.3088304 563.7740433 565.6674153 568.0963636 568.2097230
569.9115492 571.9785020 572.0452511 572.3303250 574.3563497
575.7441346 578.0199204 579.2972505 582.3530358 583.8677399
585.4428018 585.6055715 586.7551442 587.5165160 587.9364408
589.7904772 590.7595215 591.8326338 594.5027464 596.7388619
598.9446685 599.3055907 600.6196570 602.0462420 604.9186679
606.6888547 607.0512013 608.3123240 608.6280997 610.2572912
611.5887668 613.5852541 614.8223591 616.9266916 617.5235836
618.4706276 618.9455873 620.0946702 623.0113681 623.6317233
625.0116583 625.7410122 628.0350034 628.4942483 629.2069421
629.8173177 631.5788354 631.7221721 632.3101780 635.0396925
635.1196064 637.3643339 640.4610548 641.3680935 643.9808004
644.5504796 645.6609967 647.0404224 647.9926605 650.1590245
651.6832369 653.8308153 654.1810365 656.6605810 657.8466178
658.7948045 659.2668078 660.6406613 661.3702265 662.7294772
664.5368685 666.0414287 669.2250197 671.0635120 672.6967577
673.3973949 674.9991689 676.8556022 678.8573216 679.5070660
680.9836446 682.8054292 683.9726924 685.1748324 687.0093222
687.5719741 689.3279337 690.3780055 690.6178933 691.7820519
694.0739463 696.0212181 697.5135495 698.3845113 700.7066573
701.7093492 704.2955998 704.4752892 706.8656824 708.1310347
708.1576328 709.1161118 710.6031757 711.3157833 712.6302033
714.2416863 716.5452688 717.9183802 718.9591719 719.7136962
720.1125150 720.9187387 721.9760687 724.4146864 727.7511721
728.5356610 729.7339373 730.6897978 731.4802113 733.7199198
735.4356180 736.6423552 737.6564089 738.0189208 739.2629994
741.1326143 742.4286615 743.4523914 743.9196548 746.2719115
747.7267491 748.6490003 751.2082917 752.4677704 754.1319573
754.7827709 757.0927171 757.8644921 759.8959905 761.2363851
762.0506059 763.2360403 765.2027202 767.0210804 767.3101606
769.4282994 770.1411247 772.5707873 775.1453639 776.8302246
777.2436531 778.6153213 780.7560024 783.3261415 785.7338214
786.5666859 787.2642487 789.4000740 790.3782019 792.1708010
793.8310454 795.5358732 796.8497755 800.7158988 801.2591751
803.4275931 804.6119692 805.8926563 807.0855128 807.2631708
807.3119173 807.4479026 808.3046745 809.2411895 810.9462163
812.2222485 814.1367484 816.0414413 816.1885326 816.6660193
819.5549901 819.6288615 819.6657766 820.9167328 821.5004376
822.7015646 826.2921783 826.9919461 827.9340571 829.4618516
829.6255754 831.1790984 831.7852615 833.7925289 835.7523959
838.2933398 839.4310545 841.2078704 842.3888432 843.8386628
845.2038991 846.6139134 847.5204051 848.5519360 849.8662564
850.0487052 851.2376297 852.9601616 855.3868137 856.9402714
859.0899478 861.8385570 863.2771445 864.5411922 864.9852224
866.9250399 867.3006316 869.6705501 871.7983116 873.5049152
874.6618826 876.6716292 877.5417945 882.4153927 884.0689792
885.1748492 886.4007068 887.1207766 890.2319914 890.8202952
893.4076037 893.9469767 895.7396878 897.3192768 899.7171720
903.2796041 904.4133778 908.1516547 908.7593039 911.2854432
911.9444508 913.4251883 914.5088148 915.5957715 917.0630161
921.4226938 921.6640590 926.5085409 927.4975264 928.0880731
932.6580359 935.1419635 937.1235737 939.0069488 941.1559538
943.1522573 945.8253018 946.6748508 948.6315415 950.6264267
951.4227049 954.8368686 955.5993241 956.8111053 959.1970456
962.2466828 963.7304816 967.4982189 968.7726186 970.1446370
972.6309151 974.3103964 977.8920591 979.4876639 981.3734100
982.2362205 983.6538780 984.0196608 984.7407001 985.7172097
989.3845593 990.7086866 994.5401205 999.0291701 999.1443628
1000.8901654 1001.8066213 1005.2817957 1009.2274562 1009.3420132
1012.6963106 1014.5182085 1017.9785186 1023.3006806 1027.2402030
1030.3671839 1033.0268074 1036.6624464 1041.8419151 1043.1323161
1045.9096952 1046.9461962 1051.6162998 1056.1249612 1060.1030712
1064.1269437 1073.4800150 1075.7371087 1076.8983500 1082.8555340
1088.1821923 1091.4028592 1094.1871127 1099.8659018 1107.6394952
1114.2007248 1114.6386197 1123.8677618 1130.6499718 1134.4524299
1137.3827172 1144.4253474 1155.5103074 1159.0800037 1166.6491045
1177.1797457 1191.6205044 1241.2655765
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404210033351576525.eigenfacs
Openam> file on opening on unit 10:
2404210033351576525.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404210033351576525.atom
Openam> file on opening on unit 11:
2404210033351576525.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 183
First residue number = 1
Last residue number = 287
Number of atoms found = 201
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: 9.9297E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9338E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9594E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9763E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0035E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 6.1651E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1030
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1112
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1425
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1974
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2117
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2492
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2936
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3090
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3382
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4122
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4307
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5145
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5258
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6073
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6750
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7286
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7436
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8556
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8916
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9488
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9857
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.016
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.083
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.128
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.178
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.219
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.342
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.458
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.566
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.616
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.703
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.783
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.850
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.906
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 2.042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 2.074
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 2.134
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 2.176
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.264
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.400
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.424
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.489
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.503
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.626
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.809
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.868
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.981
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 3.026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 3.261
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.385
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.468
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.493
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.591
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.674
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.841
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.999
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 4.092
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 4.098
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 4.331
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 4.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 4.435
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.540
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.641
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.747
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.883
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: 4.988
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 5.121
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 5.176
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 5.270
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 5.349
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 5.404
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 5.581
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.639
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.701
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.797
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.938
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.991
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 6.169
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 6.223
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 6.298
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 6.378
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 6.537
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 6.572
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 6.713
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.769
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.829
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 7.045
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 7.156
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 7.249
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 7.517
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 7.599
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 7.614
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 603 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= 0.142 for 200 C-alpha atoms.
Bfactors> = 56.304 +/- 412.95
Bfactors> = 16.911 +/- 6.51
Bfactors> Shiftng-fct= -39.393
Bfactors> Scaling-fct= 0.016
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404210033351576525 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=0
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=100
2404210033351576525.eigenfacs
2404210033351576525.atom
making animated gifs
11 models are in 2404210033351576525.7.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 2404210033351576525.7.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 2404210033351576525.7.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 2404210033351576525 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=0
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=100
2404210033351576525.eigenfacs
2404210033351576525.atom
making animated gifs
11 models are in 2404210033351576525.8.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 2404210033351576525.8.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 2404210033351576525.8.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 2404210033351576525 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=0
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=100
2404210033351576525.eigenfacs
2404210033351576525.atom
making animated gifs
11 models are in 2404210033351576525.9.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 2404210033351576525.9.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 2404210033351576525.9.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 2404210033351576525 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=0
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=100
2404210033351576525.eigenfacs
2404210033351576525.atom
making animated gifs
11 models are in 2404210033351576525.10.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 2404210033351576525.10.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 2404210033351576525.10.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 2404210033351576525 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=0
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=100
2404210033351576525.eigenfacs
2404210033351576525.atom
making animated gifs
11 models are in 2404210033351576525.11.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 2404210033351576525.11.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 2404210033351576525.11.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 2404210033351576525 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=0
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=100
2404210033351576525.eigenfacs
2404210033351576525.atom
making animated gifs
11 models are in 2404210033351576525.12.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 2404210033351576525.12.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 2404210033351576525.12.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 2404210033351576525 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=0
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=100
2404210033351576525.eigenfacs
2404210033351576525.atom
making animated gifs
11 models are in 2404210033351576525.13.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 2404210033351576525.13.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 2404210033351576525.13.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 2404210033351576525 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=0
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=100
2404210033351576525.eigenfacs
2404210033351576525.atom
making animated gifs
11 models are in 2404210033351576525.14.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 2404210033351576525.14.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 2404210033351576525.14.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 2404210033351576525 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=0
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=100
2404210033351576525.eigenfacs
2404210033351576525.atom
making animated gifs
11 models are in 2404210033351576525.15.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 2404210033351576525.15.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 2404210033351576525.15.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 2404210033351576525 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=-20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=0
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=20
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=40
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=60
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=80
2404210033351576525.eigenfacs
2404210033351576525.atom
calculating perturbed structure for DQ=100
2404210033351576525.eigenfacs
2404210033351576525.atom
making animated gifs
11 models are in 2404210033351576525.16.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 2404210033351576525.16.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 2404210033351576525.16.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
2404210033351576525.10.pdb
2404210033351576525.11.pdb
2404210033351576525.12.pdb
2404210033351576525.13.pdb
2404210033351576525.14.pdb
2404210033351576525.15.pdb
2404210033351576525.16.pdb
2404210033351576525.7.pdb
2404210033351576525.8.pdb
2404210033351576525.9.pdb
STDERR:
real 0m3.175s
user 0m3.171s
sys 0m0.004s
../../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: 2404210033351576525.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
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
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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