*** ***
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 = 2404260205442817302.atom
Pdbmat> Distance cutoff = 10.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2404260205442817302.atom to be opened.
Openam> File opened: 2404260205442817302.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 = 196
First residue number = 96
Last residue number = 313
Number of atoms found = 200
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 96.959465 +/- 7.483807 From: 80.392000 To: 115.853000
= 82.549120 +/- 9.467294 From: 62.374000 To: 100.077000
= -30.267360 +/- 10.704165 From: -51.741000 To: -9.893000
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 9.5208 % Filled.
Pdbmat> 17166 non-zero elements.
Pdbmat> 1774 atom-atom interactions.
Pdbmat> Number per atom= 17.74 +/- 5.37
Maximum number = 29
Minimum number = 6
Pdbmat> Matrix trace = 35480.0
Pdbmat> Larger element = 117.851
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 17166
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 35480.0000006
%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 = 35480.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5532661 0.6555663 0.8481236 0.9377773
1.0756079 1.3845287 1.5377433 1.6451774 1.8725728
2.0973828 2.3213885 2.5873955 2.6993222 3.0717066
3.1236591 3.3708705 3.7208237 3.9783090 4.2241710
4.3090387 4.4874692 4.8516517 4.9731074 5.3791988
5.5795092 5.8651103 6.1977369 6.4539212 6.5226771
6.7769278 6.8906436 7.2228680 7.3902469 7.5689434
7.7587851 7.8517662 8.2413158 8.4070521 8.7297380
8.9480004 9.0649433 9.4806873 9.5995351 9.8734063
10.0385258 10.5491190 10.6584204 10.8977869 11.0258168
11.2261150 11.2856485 11.4874597 11.9020217 11.9537219
12.1731164 12.4314440 12.6138255 13.0751090 13.3941359
13.4719052 13.5831971 13.7733725 14.0258251 14.1849870
14.7139274 14.8115747 15.0460777 15.1341318 15.6090426
15.7652734 16.1240774 16.4280492 16.5333071 16.6473095
16.7740774 16.9281827 17.1855522 17.5163696 17.6045711
17.9223991 17.9763783 18.2116695 18.4592001 18.6735864
19.0991507 19.2130430 19.3410084 19.4749970 19.6790380
19.9827381 20.1431303 20.4559039 20.5679223 20.7323891
20.9923260 21.0983483 21.2561464 21.6284782 21.6646062
21.6892401 22.0324128 22.4238580 22.4681884 22.8315353
23.1084364 23.1725614 23.2961604 23.4158186 23.6103673
23.8217416 23.8969400 23.9607165 24.4122281 24.7539571
24.8704934 25.0380019 25.2481288 25.3474006 25.6283870
25.8501427 26.1330103 26.2463753 26.3753175 26.5662899
26.7519525 26.8630360 27.0679026 27.3097976 27.4639975
27.5640881 27.6501773 27.8693679 28.0531426 28.1868016
28.2418245 28.5055633 28.6112687 28.7842871 29.1089442
29.2579131 29.4525334 29.6368699 29.7492824 29.7892142
30.0398647 30.1961353 30.2619530 30.4983930 30.7306956
30.9021685 31.0066319 31.2807827 31.5127291 31.7228003
31.9763813 32.1314889 32.2506338 32.3726460 32.5832535
32.6659151 32.8274647 33.0543528 33.1327140 33.2916372
33.6017265 33.7387645 34.0358548 34.2128865 34.4272930
34.6145201 34.7587961 34.8876480 35.1130155 35.2206378
35.3405147 35.4489582 35.5392166 35.6827538 35.9874379
36.1057634 36.1686768 36.1788203 36.5453917 36.7043281
36.8873716 37.1963925 37.2723891 37.3763002 37.4186535
37.5535119 37.7564408 37.8782612 38.1277503 38.1506347
38.2534039 38.7859086 38.8610408 38.9131353 39.0470358
39.1494314 39.1989484 39.4425169 39.6560412 39.8835032
40.1460072 40.2694710 40.4679072 40.6158069 40.6304245
40.9059697 40.9597128 41.2592910 41.4032326 41.4869170
41.7334326 41.8458154 42.0673466 42.2201777 42.3751175
42.5581978 42.8358491 42.9751167 43.1295764 43.1873478
43.2523706 43.4778732 43.6066483 43.7648870 43.9156489
43.9509126 43.9996253 44.1611261 44.2986115 44.6762811
44.7333947 44.8682381 44.9718158 45.0101611 45.3081451
45.3765847 45.4625234 45.5816354 45.9150348 46.0571389
46.3167402 46.3567134 46.4904072 46.6277634 46.7433706
47.2785352 47.4250421 47.5670620 47.6946327 48.0073563
48.0808274 48.2063468 48.3415060 48.5246732 48.5393558
48.6237444 48.7604794 48.9031635 49.0994458 49.1432054
49.5884372 49.7118596 49.7956654 49.9942279 50.2057548
50.3230514 50.4308937 50.4830558 50.6191748 50.9080162
51.0014446 51.1868040 51.3349597 51.4379678 51.5482951
51.8350181 51.9203158 52.0545512 52.2608238 52.5040299
52.6731146 52.9716517 53.0099093 53.2108365 53.3670905
53.5968439 53.7356645 53.9983760 54.0920479 54.2583594
54.4797502 54.7237092 54.8852482 54.9731009 55.0920167
55.1423653 55.4439659 55.5719455 55.9145811 56.0189370
56.1139164 56.3395729 56.5350129 56.8388123 56.9653226
57.1644134 57.2045512 57.2763094 57.5757347 57.6420625
57.8303456 58.0549536 58.3003061 58.5683819 58.6699302
58.9189216 59.1418747 59.1845987 59.3722079 59.4606290
59.6774533 59.8724851 60.0653890 60.4845346 60.6667500
60.7632675 60.8517240 61.0047781 61.3954292 61.4194983
61.6009477 61.7253978 62.0489358 62.2341489 62.2782520
62.5867443 62.8628931 63.2579671 63.4507931 63.6239800
63.7913171 63.9615896 64.0026565 64.2137466 64.5588989
64.7257323 64.9858076 65.2569668 65.3409129 65.4058058
65.8643846 65.9518957 66.0537594 66.3132089 66.4600033
66.6747615 66.7158696 66.9355215 67.0449993 67.2893671
67.6239338 67.8902879 67.9621382 68.2386732 68.5181957
68.6016470 68.7103116 68.8539081 68.9475339 69.4056588
69.5609949 69.7445651 69.9332551 70.3439710 70.3972989
70.4561659 70.5700932 70.6756920 70.7686849 71.1833954
71.2888195 71.3556740 71.8292862 72.0171543 72.1071323
72.5010490 72.5956647 72.8618329 73.0757990 73.2442738
73.4192530 73.7144217 73.9680290 74.3482790 74.4441497
74.5656738 74.9819814 75.0830602 75.4373460 75.4385452
75.6146504 75.6356525 75.8694916 76.1364281 76.3587130
76.6409187 76.7458455 76.8746580 77.1404338 77.4869720
77.5829628 77.7784645 78.0820420 78.1577801 78.3265229
78.6724169 79.1123217 79.1944834 79.3244568 79.5520340
79.8882633 79.9907377 80.3504769 80.4469725 80.6687787
80.8792278 81.2581763 81.4223284 81.5613473 82.1601475
82.2381799 82.3364495 82.6571207 82.9339020 83.2183722
83.5231649 83.7909220 83.8840967 84.1673356 84.3254454
84.6825554 84.8460358 85.0892453 85.1669841 85.2726463
85.5354114 85.7260567 86.1426619 86.4033264 86.6249395
86.7549541 86.8402856 87.2516782 87.6332679 87.8210381
88.2812694 88.3811461 88.5207179 88.9520332 89.0734056
89.2098159 89.5275222 89.6744415 89.9121828 90.4149564
90.6019779 90.6319584 91.0530317 91.3092073 91.7367113
91.8040155 92.0758240 92.3865180 92.6916738 93.1255694
93.4876539 93.6409262 93.9616606 94.0989835 94.3074996
94.5013849 95.0386457 95.0728580 95.4135597 96.1564026
96.2801180 96.5978812 96.9726855 97.3827436 97.6118636
97.9154723 98.2936011 98.5505528 99.0730277 99.6193598
99.7727206 99.9619863 100.6038254 100.6418424 101.0088702
101.2657482 101.5505782 101.9535330 102.2157844 102.3660099
102.7224858 103.0149057 103.1968048 103.6823183 104.0415620
104.3482672 105.1616784 105.3060563 105.7551691 106.1792501
106.5524319 106.8501441 107.3580343 107.8247232 108.4831336
108.6644923 108.9799804 109.4700287 109.6633306 109.9183723
110.7404502 111.0418568 111.2777575 111.4899516 112.1117038
112.8124999 113.2078734 113.6246860 113.9462717 113.9831007
114.2297529 114.8447744 115.0719145 115.8361809 116.4691366
116.8189924 117.5983636 117.6208540 118.2587276 118.8451623
119.4287060 119.8359500 120.0224323 120.9023608 121.2430749
121.6419377 122.2002927 123.0556574 123.9157568 124.7351299
125.3925367 125.6368454 125.7352879 126.1847061 126.5734072
127.2188531 127.7583920 128.8678273 129.3807941 129.9703422
131.1479470 133.0288253 133.3277379 133.6978354 134.6535619
135.0553363 135.7357948 136.2560859 138.7582711 139.1693399
139.3390806 140.8632429 141.1800004 142.4535252 143.6831607
144.4900955 147.3243492 149.4079019 151.3174578 156.6202826
157.4022034 159.4496335 160.5999206 165.3360178 167.8503186
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034169 0.0034273 0.0034296 0.0034390 0.0034423
0.0034486 80.7722719 87.9232241 100.0057234 105.1586849
112.6217509 127.7751103 134.6595631 139.2841335 148.5985730
157.2657445 165.4509236 174.6733654 178.4114187 190.3203142
191.9230310 199.3729861 209.4666221 216.5930601 223.1855250
225.4163827 230.0361128 239.1883853 242.1637881 251.8570308
256.5034911 262.9864489 270.3409581 275.8716732 277.3372605
282.6908224 285.0527103 291.8435641 295.2057104 298.7534353
302.4768497 304.2838902 311.7407375 314.8597522 320.8454503
324.8316053 326.9473538 334.3606743 336.4498828 341.2155273
344.0568830 352.6983080 354.5207861 358.4795918 360.5791964
363.8396486 364.8031174 368.0503890 374.6326718 375.4454576
378.8751898 382.8741714 385.6725149 392.6611546 397.4226648
398.5747560 400.2176906 403.0096326 406.6862509 408.9872329
416.5427550 417.9226381 421.2180089 422.4487573 429.0258040
431.1675162 436.0464123 440.1374046 441.5451788 443.0648596
444.7486116 446.7869182 450.1704943 454.4826727 455.6254815
459.7199518 460.4117295 463.4150782 466.5537873 469.2552583
474.5722148 475.9850995 477.5675797 479.2189464 481.7228112
485.4257146 487.3699647 491.1392212 492.4821475 494.4472387
497.5372040 498.7920339 500.6538344 505.0196328 505.4412466
505.7285234 509.7137044 514.2217562 514.7297960 518.8751097
522.0120885 522.7358681 524.1281118 525.4724517 527.6508616
530.0075244 530.8434054 531.5512949 536.5361520 540.2783902
541.5486544 543.3693212 545.6446216 546.7162655 549.7382013
552.1114480 555.1239956 556.3267566 557.6916325 559.7069943
561.6593879 562.8242834 564.9663519 567.4851758 569.0850222
570.1210745 571.0106917 573.2695042 575.1565102 576.5250471
577.0874843 579.7758138 580.8497924 582.6034062 585.8797765
587.3770218 589.3273667 591.1687209 592.2888094 592.6861849
595.1744325 596.7205053 597.3704783 599.6995987 601.9791867
603.6563293 604.6757851 607.3430774 609.5906377 611.6190989
614.0587680 615.5462716 616.6864517 617.8518901 619.8584182
620.6441910 622.1769992 624.3233952 625.0629916 626.5602760
629.4715068 630.7537887 633.5247871 635.1702354 637.1573801
638.8875684 640.2176500 641.4032061 643.4715419 644.4569154
645.5527199 646.5424110 647.3649847 648.6709692 651.4344839
652.5045523 653.0727915 653.1643623 656.4650217 657.8909612
659.5293633 662.2861778 662.9623964 663.8858846 664.2619224
665.4578597 667.2534132 668.3289867 670.5263828 670.7275787
671.6303656 676.2889087 676.9436119 677.3971924 678.5616569
679.4507928 679.8803483 681.9893461 683.8328484 685.7912333
688.0443919 689.1015749 690.7973345 692.0585257 692.1830501
694.5261886 694.9822807 697.5191904 698.7348512 699.4406380
701.5156014 702.4595124 704.3164634 705.5946980 706.8882094
708.4136075 710.7207096 711.8751168 713.1532677 713.6307371
714.1677552 716.0270448 717.0866439 718.3865390 719.6228296
719.9116955 720.3105392 721.6312795 722.7537222 725.8281165
726.2919134 727.3857493 728.2248452 728.5352399 730.9428486
731.4946986 732.1870594 733.1455990 735.8219502 736.9597316
739.0337520 739.3525912 740.4179785 741.5109562 742.4296249
746.6675661 747.8235587 748.9424453 749.9460715 752.4006735
752.9761950 753.9584113 755.0146318 756.4436649 756.5580983
757.2154740 758.2794102 759.3880481 760.9104971 761.2495001
764.6901410 765.6411820 766.2862811 767.8125614 769.4351647
770.3334628 771.1584334 771.5571464 772.5966320 774.7977792
775.5084227 776.9163963 778.0399419 778.8201538 779.6549367
781.8202367 782.4632391 783.4740804 785.0248526 786.8493666
788.1153387 790.3455960 790.6309495 792.1279242 793.2901164
794.9958991 796.0247885 797.9682829 798.6601071 799.8869458
801.5171770 803.3097602 804.4945315 805.1381359 806.0084882
806.3767100 808.5789374 809.5116085 812.0033445 812.7607308
813.4494514 815.0834135 816.4959374 818.6867799 819.5973788
821.0283548 821.3165450 821.8315192 823.9768772 824.4513556
825.7967592 827.3988664 829.1454037 831.0495010 831.7696429
833.5327629 835.1083453 835.4099317 836.7329663 837.3557938
838.8811214 840.2507769 841.6032952 844.5346092 845.8057730
846.4783214 847.0942302 848.1588658 850.8701733 851.0369424
852.2931093 853.1536028 855.3866128 856.6623055 856.9657944
859.0856419 860.9788092 863.6800654 864.9954192 866.1751039
867.3134170 868.4701667 868.7489252 870.1803767 872.5158753
873.6425277 875.3959651 877.2203988 877.7844424 878.2202172
881.2935657 881.8788394 882.5596146 884.2911983 885.2694140
886.6985854 886.9718888 888.4307994 889.1570483 890.7759888
892.9877388 894.7446404 895.2179822 897.0374348 898.8728010
899.4200230 900.1320788 901.0721728 901.6845924 904.6752739
905.6870805 906.8813389 908.1072685 910.7700080 911.1151711
911.4960337 912.2326783 912.9149414 913.5153362 916.1880654
916.8662612 917.2960782 920.3352485 921.5380217 922.1135252
924.6288186 925.2319542 926.9265593 928.2865682 929.3560253
930.4654705 932.3339773 933.9364026 936.3338850 936.9373830
937.7018088 940.3158065 940.9493852 943.1667473 943.1742436
944.2744846 944.4056120 945.8643722 947.5268586 948.9090318
950.6608980 951.3114363 952.1094564 953.7538819 955.8937573
956.4856543 957.6900222 959.5571847 960.0224480 961.0582343
963.1779380 965.8670382 966.3684558 967.1611290 968.5474996
970.5921409 971.2144411 973.3958932 973.9802101 975.3220017
976.5933852 978.8785584 979.8667907 980.7029370 984.2963745
984.7636859 985.3518763 987.2688095 988.9203865 990.6149739
992.4274121 994.0168924 994.5694072 996.2470992 997.1823943
999.2916480 1000.2557537 1001.6883348 1002.1458087 1002.7672709
1004.3110809 1005.4296861 1007.8697815 1009.3935178 1010.6871693
1011.4453509 1011.9426536 1014.3367830 1016.5524323 1017.6409239
1020.3039428 1020.8809381 1021.6867095 1024.1727581 1024.8712466
1025.6557095 1027.4804394 1028.3231681 1029.6853904 1032.5602896
1033.6276530 1033.7986541 1036.1973701 1037.6540044 1040.0802834
1040.4617502 1042.0008838 1043.7574296 1045.4797913 1047.9239129
1049.9591700 1050.8195177 1052.6175876 1053.3864951 1054.5529611
1055.6364241 1058.6329318 1058.8234594 1060.7189549 1064.8400663
1065.5248611 1067.2817433 1069.3502902 1071.6088294 1072.8687178
1074.5359297 1076.6087459 1078.0150218 1080.8688425 1083.8449376
1084.6788891 1085.7072021 1089.1871966 1089.3929730 1091.3776026
1092.7644758 1094.3002051 1096.4691582 1097.8784565 1098.6849310
1100.5962800 1102.1616989 1103.1343439 1105.7262757 1107.6402071
1109.2716175 1113.5866983 1114.3508654 1116.7245977 1118.9614049
1120.9260532 1122.4909195 1125.1555215 1127.5984135 1131.0359028
1131.9809231 1133.6229849 1136.1688973 1137.1715771 1138.4931569
1142.7426134 1144.2966800 1145.5115247 1146.6031846 1149.7959024
1153.3839188 1155.4032807 1157.5283283 1159.1652153 1159.3525291
1160.6062339 1163.7264348 1164.8766761 1168.7386208 1171.9273998
1173.6862270 1177.5949094 1177.7075101 1180.8966247 1183.8209850
1186.7237765 1188.7453793 1189.6699507 1194.0229403 1195.7041909
1197.6693764 1200.4149717 1204.6089145 1208.8113998 1212.8013512
1215.9931386 1217.1771533 1217.6539182 1219.8281195 1221.7054628
1224.8164717 1227.4109651 1232.7287745 1235.1798166 1237.9907832
1243.5865851 1252.4723826 1253.8787309 1255.6178132 1260.0976549
1261.9761712 1265.1513272 1267.5737441 1279.1595581 1281.0528999
1281.8338930 1288.8255036 1290.2737731 1296.0802142 1301.6619708
1305.3119661 1318.0520044 1327.3396378 1335.7949535 1358.9994530
1362.3876057 1371.2196967 1376.1568727 1396.3008967 1406.8777630
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404260205442817302.eigenfacs
Openam> file on opening on unit 10:
2404260205442817302.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404260205442817302.atom
Openam> file on opening on unit 11:
2404260205442817302.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 = 196
First residue number = 96
Last residue number = 313
Number of atoms found = 200
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9007E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9612E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9749E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0029E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0049E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0085E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5533
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6556
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8481
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9378
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.076
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.385
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.538
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.645
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.097
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.321
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.587
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.699
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.072
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.124
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.371
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.721
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.978
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.224
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.309
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.487
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.852
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.973
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.379
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.580
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 6.198
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.454
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.523
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.777
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.891
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.223
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.390
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.569
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.759
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.852
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.241
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.407
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.730
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.948
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 9.065
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.481
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.600
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 10.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 11.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 11.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 13.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 16.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 19.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.69
%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 : 0.553300
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= 0.697 for 199 C-alpha atoms.
Bfactors> = 1.538 +/- 2.40
Bfactors> = 19.816 +/- 8.21
Bfactors> Shiftng-fct= 18.278
Bfactors> Scaling-fct= 3.419
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404260205442817302 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=0
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=100
2404260205442817302.eigenfacs
2404260205442817302.atom
making animated gifs
11 models are in 2404260205442817302.7.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 2404260205442817302.7.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 2404260205442817302.7.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 2404260205442817302 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=0
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=100
2404260205442817302.eigenfacs
2404260205442817302.atom
making animated gifs
11 models are in 2404260205442817302.8.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 2404260205442817302.8.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 2404260205442817302.8.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 2404260205442817302 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=0
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=100
2404260205442817302.eigenfacs
2404260205442817302.atom
making animated gifs
11 models are in 2404260205442817302.9.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 2404260205442817302.9.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 2404260205442817302.9.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 2404260205442817302 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=0
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=100
2404260205442817302.eigenfacs
2404260205442817302.atom
making animated gifs
11 models are in 2404260205442817302.10.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 2404260205442817302.10.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 2404260205442817302.10.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 2404260205442817302 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=0
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=100
2404260205442817302.eigenfacs
2404260205442817302.atom
making animated gifs
11 models are in 2404260205442817302.11.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 2404260205442817302.11.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 2404260205442817302.11.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 2404260205442817302 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=0
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=100
2404260205442817302.eigenfacs
2404260205442817302.atom
making animated gifs
11 models are in 2404260205442817302.12.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 2404260205442817302.12.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 2404260205442817302.12.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 2404260205442817302 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=0
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=100
2404260205442817302.eigenfacs
2404260205442817302.atom
making animated gifs
11 models are in 2404260205442817302.13.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 2404260205442817302.13.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 2404260205442817302.13.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 2404260205442817302 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=0
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=100
2404260205442817302.eigenfacs
2404260205442817302.atom
making animated gifs
11 models are in 2404260205442817302.14.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 2404260205442817302.14.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 2404260205442817302.14.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 2404260205442817302 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=0
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=100
2404260205442817302.eigenfacs
2404260205442817302.atom
making animated gifs
11 models are in 2404260205442817302.15.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 2404260205442817302.15.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 2404260205442817302.15.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 2404260205442817302 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=-20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=0
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=20
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=40
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=60
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=80
2404260205442817302.eigenfacs
2404260205442817302.atom
calculating perturbed structure for DQ=100
2404260205442817302.eigenfacs
2404260205442817302.atom
making animated gifs
11 models are in 2404260205442817302.16.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 2404260205442817302.16.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 2404260205442817302.16.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
2404260205442817302.10.pdb
2404260205442817302.11.pdb
2404260205442817302.12.pdb
2404260205442817302.13.pdb
2404260205442817302.14.pdb
2404260205442817302.15.pdb
2404260205442817302.16.pdb
2404260205442817302.7.pdb
2404260205442817302.8.pdb
2404260205442817302.9.pdb
STDERR:
real 0m3.106s
user 0m3.098s
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: 2404260205442817302.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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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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