*** ***
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 = 2404260151392809221.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 2404260151392809221.atom to be opened.
Openam> File opened: 2404260151392809221.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 = 95
Last residue number = 290
Number of atoms found = 213
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 28.780606 +/- 9.327236 From: 9.442000 To: 52.003000
= 2.265577 +/- 8.331030 From: -18.215000 To: 23.114000
= 9.823150 +/- 10.057415 From: -8.568000 To: 31.800000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.4356 % Filled.
Pdbmat> 19294 non-zero elements.
Pdbmat> 2004 atom-atom interactions.
Pdbmat> Number per atom= 18.82 +/- 6.05
Maximum number = 33
Minimum number = 5
Pdbmat> Matrix trace = 40080.0
Pdbmat> Larger element = 127.669
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 213 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) = 639
Diagstd> Number of non-zero elements 19294
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 40080.0000006
%Diagstd-Wn: Nb on non-zero elements there: 639
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 639 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 40080.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.4623380 0.8502015 0.8613985 0.9180320
1.0533908 1.3226024 1.5018039 1.8621806 2.0477556
2.0841318 2.1649194 2.4801202 2.6613615 2.7353747
3.1498055 3.3924358 3.6539955 3.8294313 4.0243592
4.2883838 4.4549899 4.5128215 4.6664843 5.0705111
5.1863178 5.4000041 5.6560627 5.8813364 5.9617960
6.4301879 6.4923264 6.8734307 7.1020334 7.2419923
7.4243880 7.5976612 7.8317092 8.0423202 8.1742661
8.3962565 8.5372800 9.0021829 9.1455610 9.4852097
9.5253784 9.8933804 9.9684650 10.3912686 10.5501274
10.5967953 11.2269079 11.3792007 11.5435675 11.7195733
11.8282725 12.0036296 12.0785722 12.5627199 12.7562822
13.1232785 13.2867729 13.5479368 13.6954714 13.9030683
14.0926412 14.3291854 14.7211361 14.8006397 14.9575703
15.2106996 15.4534686 15.5948771 15.6317624 15.8670793
16.0853064 16.3952131 16.4671163 16.7999730 17.0356724
17.1866340 17.2481242 17.4947730 17.7065687 17.7602858
17.9823361 18.2294878 18.4101462 18.8459112 18.8987094
19.0589845 19.3981977 19.5382960 19.7439732 19.7865242
19.9766641 20.3302776 20.4171295 20.6031707 20.8929301
21.0178917 21.4023251 21.5243117 21.7043871 21.9769513
22.0597866 22.3287486 22.4316477 22.5848069 22.7812727
22.9960929 23.1179931 23.2971856 23.6636423 23.9954324
24.1830228 24.3704436 24.5896257 24.9426692 25.3567834
25.6152253 25.7315784 25.9020436 26.0275859 26.1966664
26.4381589 26.7681880 26.8729741 27.0110345 27.3161557
27.4562047 27.4983687 27.5939834 27.6213649 27.7257960
28.0174426 28.1006205 28.2843266 28.3460675 28.4916198
28.7117798 28.9323043 29.0140605 29.0634287 29.4067110
29.4894519 29.7118166 29.8746030 30.1216364 30.2646845
30.5391434 30.7174023 31.0492144 31.1949871 31.2995701
31.5666864 31.6915892 31.9238939 32.0714118 32.2493985
32.3107287 32.3872834 32.5917865 32.7956362 32.8173884
33.1217286 33.2339325 33.3524408 33.5810434 33.7346300
33.8430192 33.9904171 34.2791680 34.4921343 34.5411423
34.6921240 35.1110625 35.3256965 35.4995549 35.6393947
35.9201707 36.0885231 36.4943716 36.5702049 36.7146261
36.8014228 36.9685395 37.0491030 37.1369153 37.4404685
37.7350737 37.7575596 38.0792091 38.2751958 38.4385756
38.5394973 38.6364318 38.8047245 38.9553552 39.0044263
39.0413575 39.0484748 39.1358481 39.3368568 39.7073394
39.8992793 39.9776539 40.2358895 40.4392218 40.5714022
40.7138842 40.9408002 40.9641890 41.1204121 41.2311806
41.4496814 41.5176513 41.6796345 41.7526572 41.9572303
42.2793095 42.4164125 42.5379264 42.7961255 42.8750406
42.9703989 43.1725357 43.5307108 43.6107669 43.7191481
43.9025277 44.1220394 44.2224956 44.3819140 44.6185782
44.8411650 44.8905480 45.1011977 45.2086963 45.4348995
45.6290577 45.7540364 45.9083170 46.0693584 46.2213844
46.2844560 46.5509593 46.7268731 47.0093596 47.2588687
47.3024568 47.3645360 47.5049282 47.7153539 47.8050991
47.8337539 48.0658259 48.1383897 48.3243980 48.5258354
48.6967764 48.7407106 48.8916484 49.2126523 49.3221412
49.5040718 49.5925598 49.9972596 50.1616917 50.4102346
50.5470739 50.7412333 50.8420956 51.0328222 51.1726310
51.1862595 51.4554397 51.6208845 51.9274706 52.0693833
52.1046349 52.2330497 52.3154656 52.4744834 52.6636951
52.9784208 53.1936180 53.2207746 53.3081717 53.5028824
53.6382351 53.6597471 54.0724941 54.1676830 54.3214812
54.4858975 54.6033874 54.6230570 54.9039126 54.9864336
55.2787646 55.3521701 55.5730219 55.7237583 55.8930568
56.0471784 56.3699071 56.5776388 56.7196436 56.8832425
56.9250536 57.1695509 57.3448620 57.5084559 57.9199334
57.9993216 58.1379074 58.3301483 58.4151687 58.5074184
58.7732667 58.8526449 59.1772358 59.3771249 59.5048383
59.5973191 59.6418763 59.8547999 60.0584607 60.2219746
60.2972016 60.5330081 60.7745107 60.9804362 61.2178698
61.5117957 61.7575567 61.8578296 62.0365214 62.1183557
62.1334693 62.2901209 62.5543729 62.8055523 62.9081861
63.1061292 63.2856926 63.5588141 63.6207225 63.7240223
63.9101412 64.0310958 64.3328247 64.4170590 64.5506213
64.6645716 65.1252109 65.4175339 65.7354138 66.0564482
66.3578057 66.4477018 66.6505786 66.8447176 66.9113488
67.0060549 67.4317446 67.4788386 67.4965202 67.6802951
67.9039024 68.1334441 68.3345069 68.3854314 68.6369662
68.7133506 68.9443577 69.2489726 69.4116812 69.4203795
69.5548250 69.7191065 70.0743512 70.3173849 70.3569083
70.9169846 70.9472318 71.0168307 71.2981351 71.3760577
71.5493226 71.7241489 71.9351520 72.2846609 72.3831738
72.7049220 72.7145386 72.9220347 73.3197002 73.3771559
73.7360215 74.0270022 74.1800653 74.2050887 74.5094903
74.6165188 74.8479858 75.1137270 75.3147693 75.5446528
75.7519339 75.8685443 76.1297154 76.2066767 76.5282499
76.5571853 76.8057187 77.0828223 77.2604275 77.4726315
77.6860109 77.9830365 78.1014452 78.3333578 78.3455489
78.6539065 78.7337393 79.0915073 79.5776044 79.6783219
79.8900935 80.2015632 80.2214859 80.6083210 80.7231461
80.8572020 81.2725879 81.4511866 81.5921481 81.7468954
81.7996594 82.0371036 82.4318193 82.8818278 83.1703878
83.3172676 83.3717604 83.3882628 83.5674838 83.6813193
83.8925796 84.1656178 84.4445719 84.6715565 84.7094795
84.9603315 85.1800137 85.4911042 85.8295756 86.2005382
86.2955397 86.5352992 86.7464479 87.0124944 87.2920610
87.4067496 87.6283870 87.7172431 88.2184794 88.5213571
88.9876735 89.1904626 89.4416180 89.8097589 89.9057433
90.1883935 90.6822840 90.8064249 91.2910416 91.5421805
92.0089316 92.0817496 92.2129207 92.2696132 92.6705401
92.8512532 93.0971439 93.5411712 93.8810398 94.2676486
94.3787171 94.7269064 94.8404969 94.9607933 95.2099308
95.5989971 95.9278787 96.0841547 96.4154560 96.4397037
96.8624213 96.8738663 97.1121620 97.4579541 98.0368665
98.1563960 98.4339156 98.6932248 98.8820223 98.9962577
99.2666866 99.4586822 99.8281568 100.0525953 100.3559635
101.1025121 101.4296123 101.4755748 101.9288160 102.4471838
102.5510795 103.0059010 103.0745857 103.6278367 104.1652308
104.3238884 104.6697760 104.8147996 105.2607257 105.8867962
105.9212005 105.9499484 106.3771623 106.8123111 107.0724929
107.4816395 107.5843371 108.0876933 108.1500550 108.5763131
108.9034376 109.0063188 109.4502136 110.0666581 110.1864719
110.8764573 110.9714606 111.3703607 112.1481612 112.2566331
112.4773216 112.8334511 113.2265404 113.7360086 114.1475988
114.2352043 114.4743096 114.6599722 115.0339911 115.4659901
115.5618996 115.7758839 116.3874192 116.6355745 117.2472002
117.7570651 118.3199749 118.5929696 118.7955516 118.8685594
119.4282824 119.5134997 120.0149220 120.7992359 120.8883503
121.0349103 121.0854576 122.6618186 122.8022167 123.3551075
123.6160916 124.1948562 124.6208594 124.9603110 125.2289680
125.6895081 126.7166003 127.7023275 127.8081381 127.9145836
128.2303852 128.4887253 128.5798539 129.6729159 129.7505306
130.0278202 130.4411462 131.7796558 131.9463247 132.1674956
132.7381451 132.8953591 134.3198670 134.9105925 135.2759666
136.6082948 137.6125174 138.2565098 139.4593552 140.0620905
141.6429356 142.3021117 143.6994795 144.8140443 145.3513571
146.6382437 147.6832015 149.3434135 150.4450035 151.1372963
151.8319973 153.5721808 154.2818223 155.4606266 156.4042394
159.4594138 161.3174256 162.6022475 166.9077336 168.2508852
170.9841203 175.9094707 180.5584621 181.7069697
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034202 0.0034305 0.0034371 0.0034432 0.0034472
0.0034679 73.8371787 100.1281566 100.7853322 104.0457131
111.4525599 124.8849014 133.0766620 148.1856621 155.3940352
156.7681616 159.7776929 171.0139917 177.1524700 179.5989094
192.7245967 200.0097198 207.5770266 212.5017072 217.8430209
224.8754799 229.2021251 230.6850006 234.5795694 244.5238072
247.3004143 252.3436180 258.2571704 263.3499805 265.1452417
275.3639695 276.6912678 284.6964546 289.3920751 292.2296718
295.8868131 299.3196585 303.8950024 307.9540787 310.4700180
314.6575299 317.2890203 325.8135904 328.3979633 334.4404110
335.1478194 341.5604950 342.8541601 350.0495846 352.7151645
353.4944116 363.8524971 366.3120104 368.9481211 371.7501732
373.4701893 376.2283983 377.4010291 384.8904346 387.8442348
393.3837832 395.8266555 399.6978950 401.8683215 404.9026394
407.6537841 411.0607693 416.6447798 417.7683390 419.9772896
423.5160509 426.8824177 428.8310844 429.3379250 432.5574299
435.5218514 439.6973147 440.6604332 445.0917785 448.2031669
450.1846618 450.9892761 454.2024120 456.9434801 457.6360787
460.4880200 463.6417250 465.9334594 471.4154922 472.0753827
474.0729309 478.2731175 479.9971098 482.5169312 483.0365959
485.3519330 489.6287771 490.6735203 492.9039636 496.3579203
497.8400768 502.3723855 503.8020338 505.9050835 509.0717565
510.0302483 513.1300779 514.3110655 516.0638891 518.3036550
520.7416411 522.1200191 524.1396445 528.2458282 531.9362297
534.0114547 536.0767811 538.4820601 542.3338897 546.8174443
549.5970216 550.8438361 552.6654240 554.0031378 555.7996836
558.3556110 561.8297949 562.9283837 564.3725592 567.5512310
569.0042792 569.4410165 570.4301595 570.7131081 571.7909698
574.7904265 575.6430095 577.5215603 578.1515425 579.6339978
581.8691578 584.0994432 584.9241284 585.4215486 588.8687493
589.6966092 591.9157327 593.5350239 595.9839459 597.3974382
600.1001091 601.8489725 605.0908533 606.5096088 607.5254371
610.1122970 611.3181487 613.5545899 614.9705512 616.6746410
617.2607418 617.9915561 619.9395787 621.8753041 622.0815035
624.9593604 626.0170290 627.1321876 629.2777458 630.7151392
631.7275696 633.1017692 635.7852035 637.7571184 638.2100349
639.6033436 643.4536458 645.4173667 647.0036550 648.2767406
650.8253731 652.3487508 656.0066249 656.6878437 657.9832455
658.7605527 660.2545866 660.9736237 661.7564662 664.4555259
667.0645809 667.2632994 670.0994168 671.8216428 673.2539699
674.1372154 674.9844779 676.4529300 677.7645736 678.1913204
678.5123163 678.5741603 679.3329112 681.0752647 684.2750017
685.9268538 686.6002106 688.8141877 690.5524577 691.6801126
692.8935985 694.8218124 695.0202544 696.3442748 697.2815366
699.1266844 699.6996695 701.0632975 701.6771601 703.3940428
706.0886381 707.2325610 708.2448706 710.3910912 711.0457620
711.8360412 713.5083483 716.4619978 717.1205074 718.0110464
719.5153164 721.3118536 722.1325214 723.4329638 725.3592333
727.1662672 727.5665666 729.2716280 730.1402195 731.9645805
733.5268756 734.5307593 735.7681198 737.0574869 738.2726077
738.7761420 740.9000055 742.2985980 744.5389929 746.5122536
746.8564379 747.3463606 748.4531374 750.1089628 750.8140516
751.0390399 752.8587193 753.4267915 754.8810208 756.4527230
757.7839220 758.1256815 759.2986370 761.7871917 762.6341371
764.0393760 764.7219276 767.8358418 769.0974432 771.0004640
772.0462008 773.5275562 774.2959752 775.7469438 776.8088300
776.9122644 778.9524129 780.2036923 782.5171502 783.5856922
783.8508957 784.8162231 785.4351403 786.6279368 788.0448659
790.3960923 791.9997512 792.2018929 792.8520879 794.2987339
795.3028155 795.4622806 798.5157400 799.2182826 800.3520872
801.5623961 802.4261499 802.5706643 804.6313091 805.2357657
807.3734139 807.9092979 809.5194482 810.6165758 811.8470395
812.9655775 815.3028112 816.8036873 817.8280970 819.0066963
819.3076395 821.0652476 822.3231870 823.4953166 826.4361524
827.0023375 827.9897835 829.3575847 829.9617887 830.6168711
832.5018271 833.0638186 835.3579652 836.7676133 837.6670254
838.3177128 838.6310326 840.1266707 841.5547563 842.6995772
843.2257468 844.8729555 846.5566309 847.9896340 849.6388982
851.6761451 853.3758198 854.0683327 855.3010380 855.8649788
855.9690898 857.0474501 858.8634429 860.5860455 861.2889228
862.6428981 863.8693169 865.7314064 866.1529299 866.8558231
868.1208135 868.9419164 870.9868352 871.5568624 872.4599373
873.2296683 876.3343831 878.2989517 880.4303012 882.5775766
884.5884990 885.1874798 886.5377683 887.8279779 888.2703639
888.8987685 891.7178870 892.0292186 892.1460807 893.3597923
894.8343504 896.3455192 897.6671090 898.0015281 899.6515234
900.1519843 901.6638232 903.6535258 904.7145232 904.7712084
905.6469136 906.7158062 909.0228979 910.5978822 910.8537568
914.4719967 914.6669941 915.1155260 916.9261646 917.4270875
918.5399367 919.6614493 921.0132182 923.2479551 923.8768630
925.9279346 925.9891687 927.3094149 929.8344239 930.1986769
932.4705636 934.3086327 935.2740529 935.4317891 937.3484738
938.0214551 939.4752410 941.1415254 942.4001692 943.8373186
945.1312924 945.8584669 947.4850878 947.9638840 949.9618644
950.1414380 951.6824468 953.3976648 954.4953867 955.8052998
957.1206603 958.9486479 959.6764007 961.1001650 961.1749508
963.0646211 963.5532468 965.7399699 968.7031474 969.3159738
970.6032584 972.4934767 972.6142566 974.9564525 975.6506095
976.4603987 978.9653597 980.0404208 980.8880958 981.8178290
982.1346380 983.5590517 985.9223751 988.6098659 990.3293348
991.2034148 991.5275052 991.6256306 992.6906768 993.3665679
994.6196946 996.2369330 997.8865048 999.2267500 999.4504935
1000.9292472 1002.2224643 1004.0509314 1006.0365583 1008.2083013
1008.7637205 1010.1641000 1011.3957643 1012.9455242 1014.5714894
1015.2377676 1016.5241225 1017.0393748 1019.9410329 1021.6903981
1024.3779148 1025.5444495 1026.9873728 1029.0987379 1029.6485169
1031.2657773 1034.0856351 1034.7932067 1037.5507805 1038.9769358
1041.6223121 1042.0344127 1042.7763414 1043.0968414 1045.3606001
1046.3793613 1047.7639674 1050.2596531 1052.1659081 1054.3301295
1054.9510652 1056.8952776 1057.5287686 1058.1992452 1059.5864725
1061.7492144 1063.5739718 1064.4399533 1066.2734858 1066.4075566
1068.7421571 1068.8052951 1070.1190409 1072.0225613 1075.2018204
1075.8570801 1077.3769034 1078.7950626 1079.8264229 1080.4499882
1081.9247188 1082.9705099 1084.9801847 1086.1991522 1087.8446311
1091.8833753 1093.6482514 1093.8960149 1096.3362398 1099.1204607
1099.6776497 1102.1135273 1102.4809127 1105.4357263 1108.2983086
1109.1420309 1110.9791988 1111.7485825 1114.1109947 1117.4193416
1117.6008602 1117.7525134 1120.0037605 1122.2921785 1123.6582311
1125.8030516 1126.3407695 1128.9726074 1129.2982434 1131.5215390
1133.2248112 1133.7599643 1136.0660640 1139.2608422 1139.8807489
1143.4441339 1143.9339030 1145.9880616 1149.9828374 1150.5388459
1151.6692293 1153.4910151 1155.4985351 1158.0952275 1160.1888047
1160.6339275 1161.8479517 1162.7897540 1164.6847102 1166.8695914
1167.3541093 1168.4343955 1171.5162023 1172.7644608 1175.8353721
1178.3892362 1181.2023838 1182.5642679 1183.5738725 1183.9375090
1186.7216719 1187.1449854 1189.6327288 1193.5136047 1193.9537551
1194.6772859 1194.9267238 1202.6796980 1203.3677918 1206.0737031
1207.3488824 1210.1719565 1212.2456970 1213.8955770 1215.1997768
1217.4322258 1222.3963279 1227.1416217 1227.6499044 1228.1610244
1229.6761612 1230.9142248 1231.3506507 1236.5734526 1236.9434678
1238.2644971 1240.2310026 1246.5780191 1247.3660777 1248.4110689
1251.1032509 1251.8439299 1258.5353161 1261.2997369 1263.0065512
1269.2109650 1273.8674778 1276.8446905 1282.3869997 1285.1552135
1292.3874732 1295.3912304 1301.7358868 1306.7744105 1309.1964704
1314.9792669 1319.6562822 1327.0531498 1331.9384757 1334.9995049
1338.0641431 1345.7102365 1348.8158485 1353.9589181 1358.0618226
1371.2617498 1379.2275436 1384.7091194 1402.9219501 1408.5554850
1419.9503836 1440.2566570 1459.1643274 1463.7977431
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404260151392809221.eigenfacs
Openam> file on opening on unit 10:
2404260151392809221.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404260151392809221.atom
Openam> file on opening on unit 11:
2404260151392809221.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 = 95
Last residue number = 290
Number of atoms found = 213
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: 9.9200E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9801E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0018E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0054E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0078E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0199E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8614
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9180
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.053
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.323
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.862
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.084
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.165
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.480
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.661
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.735
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.150
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.392
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.654
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.829
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.024
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.288
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.455
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.513
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.666
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.071
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.186
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.400
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.656
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.881
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.962
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.430
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.492
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.102
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.242
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.424
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.598
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.832
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.174
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.396
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.537
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.002
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.485
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.525
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 17.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 17.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 18.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 19.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 19.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 20.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.02
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 639 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 : 0.462300
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= 0.507 for 213 C-alpha atoms.
Bfactors> = 1.471 +/- 2.53
Bfactors> = 21.334 +/- 12.88
Bfactors> Shiftng-fct= 19.862
Bfactors> Scaling-fct= 5.091
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404260151392809221 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=0
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=100
2404260151392809221.eigenfacs
2404260151392809221.atom
making animated gifs
11 models are in 2404260151392809221.7.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 2404260151392809221.7.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 2404260151392809221.7.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 2404260151392809221 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=0
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=100
2404260151392809221.eigenfacs
2404260151392809221.atom
making animated gifs
11 models are in 2404260151392809221.8.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 2404260151392809221.8.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 2404260151392809221.8.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 2404260151392809221 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=0
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=100
2404260151392809221.eigenfacs
2404260151392809221.atom
making animated gifs
11 models are in 2404260151392809221.9.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 2404260151392809221.9.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 2404260151392809221.9.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 2404260151392809221 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=0
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=100
2404260151392809221.eigenfacs
2404260151392809221.atom
making animated gifs
11 models are in 2404260151392809221.10.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 2404260151392809221.10.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 2404260151392809221.10.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 2404260151392809221 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=0
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=100
2404260151392809221.eigenfacs
2404260151392809221.atom
making animated gifs
11 models are in 2404260151392809221.11.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 2404260151392809221.11.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 2404260151392809221.11.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 2404260151392809221 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=0
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=100
2404260151392809221.eigenfacs
2404260151392809221.atom
making animated gifs
11 models are in 2404260151392809221.12.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 2404260151392809221.12.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 2404260151392809221.12.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 2404260151392809221 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=0
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=100
2404260151392809221.eigenfacs
2404260151392809221.atom
making animated gifs
11 models are in 2404260151392809221.13.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 2404260151392809221.13.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 2404260151392809221.13.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 2404260151392809221 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=0
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=100
2404260151392809221.eigenfacs
2404260151392809221.atom
making animated gifs
11 models are in 2404260151392809221.14.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 2404260151392809221.14.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 2404260151392809221.14.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 2404260151392809221 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=0
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=100
2404260151392809221.eigenfacs
2404260151392809221.atom
making animated gifs
11 models are in 2404260151392809221.15.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 2404260151392809221.15.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 2404260151392809221.15.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 2404260151392809221 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=-20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=0
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=20
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=40
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=60
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=80
2404260151392809221.eigenfacs
2404260151392809221.atom
calculating perturbed structure for DQ=100
2404260151392809221.eigenfacs
2404260151392809221.atom
making animated gifs
11 models are in 2404260151392809221.16.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 2404260151392809221.16.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 2404260151392809221.16.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
2404260151392809221.10.pdb
2404260151392809221.11.pdb
2404260151392809221.12.pdb
2404260151392809221.13.pdb
2404260151392809221.14.pdb
2404260151392809221.15.pdb
2404260151392809221.16.pdb
2404260151392809221.7.pdb
2404260151392809221.8.pdb
2404260151392809221.9.pdb
STDERR:
real 0m3.874s
user 0m3.841s
sys 0m0.012s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404260151392809221.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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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