*** ***
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 = 2404250513002475771.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 2404250513002475771.atom to be opened.
Openam> File opened: 2404250513002475771.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 = 195
First residue number = 1
Last residue number = 288
Number of atoms found = 198
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.523490 +/- 10.418411 From: -21.607000 To: 20.709000
= 0.154197 +/- 9.153857 From: -20.850000 To: 18.951000
= 3.048374 +/- 8.130388 From: -13.571000 To: 18.687000
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 9.5442 % Filled.
Pdbmat> 16866 non-zero elements.
Pdbmat> 1742 atom-atom interactions.
Pdbmat> Number per atom= 17.60 +/- 5.35
Maximum number = 30
Minimum number = 6
Pdbmat> Matrix trace = 34840.0
Pdbmat> Larger element = 120.246
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 198 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) = 594
Diagstd> Number of non-zero elements 16866
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 34840.0000006
%Diagstd-Wn: Nb on non-zero elements there: 594
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 594 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 34840.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5113530 0.8292854 0.8555446 0.9366849
1.1892715 1.4375094 1.5281581 1.8036913 1.9008382
2.0644803 2.1938882 2.4990655 2.9519402 3.0934901
3.2411820 3.3721801 3.6687069 3.8733191 3.9153953
4.0786865 4.1277025 4.3351645 4.5098583 4.6983635
4.8311284 5.0360535 5.0570460 5.7920684 5.8358847
6.0798027 6.3046424 6.5942369 6.8906501 7.3676443
7.6387422 7.7325902 8.0932569 8.4354179 8.4956809
8.5460503 8.6140739 8.9907794 9.1896404 9.4622041
9.6288249 9.8925142 10.0221396 10.2702415 10.2948577
10.5442020 11.0552627 11.1608473 11.2909675 11.3403120
11.8753502 11.8945385 12.4013023 12.6205802 13.0365921
13.2700380 13.6241448 13.8525708 14.0407159 14.3606786
14.5251736 14.9443521 15.2520016 15.4274349 15.5210859
15.6528353 16.0150031 16.4100844 16.6301567 16.8312058
17.0506620 17.1391881 17.4530552 17.5117596 17.8700339
18.0612556 18.2756199 18.4422218 18.7016200 18.9993860
19.2592733 19.3963993 19.5980478 19.7504602 19.9231068
19.9876903 20.4233468 20.5610227 20.7071142 21.0173493
21.3592800 21.5744823 21.7751401 21.8395957 21.9691887
22.2753135 22.4441730 22.8046907 22.9761648 23.0623422
23.1633398 23.4876681 23.6690365 23.9396872 24.2478248
24.3461779 24.4741058 24.6485520 24.8244682 25.2014651
25.5276044 25.7308399 25.7708152 25.8460217 26.2505133
26.3150812 26.5551714 26.7449353 26.8360995 26.9743972
27.0563448 27.3418558 27.4938149 27.6256022 27.7811126
28.0034965 28.2372608 28.2522194 28.4846542 28.7350753
28.8427960 29.1166926 29.2050518 29.3037550 29.5121232
29.5926802 29.8455134 30.0771488 30.1335373 30.5226045
30.5516529 30.8453316 30.8497172 31.1057282 31.2473543
31.4857046 31.7041570 32.0615623 32.2114240 32.3080384
32.6083931 32.8372115 32.9525258 33.1521502 33.3520292
33.4560109 33.5537636 33.7845262 34.0832834 34.1470178
34.2979997 34.4038321 34.5621492 34.7517604 35.0443887
35.0898710 35.1987001 35.2750839 35.5686807 35.7916261
36.2189891 36.3409145 36.3879685 36.5914906 36.6877880
36.8813600 37.0757981 37.2323731 37.3183625 37.4702636
37.6646218 37.7637153 37.8833564 38.0905071 38.2519802
38.3467408 38.6277868 38.7385534 38.8334649 38.9186056
38.9670676 39.3208237 39.4537612 39.6142491 39.7128545
39.9424132 40.1429160 40.4104978 40.5088009 40.6619932
40.7190112 40.8714284 41.0263741 41.1008397 41.2038029
41.3811817 41.4782890 41.6737895 41.7623672 41.7866576
41.9851493 42.2033909 42.2970887 42.4759178 42.6335192
42.7563501 42.9141100 43.2404242 43.3307928 43.4368871
43.6483679 43.7764024 43.8119937 43.8895748 44.0816496
44.2415204 44.3713498 44.4246946 44.4903480 44.6728249
44.8492115 44.8859168 44.9502276 45.2127352 45.2335701
45.4943478 45.6693478 45.8715848 45.9094638 46.1413393
46.2595002 46.4460571 46.4688510 46.4946473 46.5834420
46.7809537 47.0556517 47.1889960 47.3438598 47.4364880
47.5179751 47.8626212 47.9007540 48.0678751 48.2356879
48.4364860 48.6579160 48.6774922 48.7802361 48.9119795
49.1586045 49.3555215 49.4800308 49.5745655 49.6790585
49.8652069 50.0122002 50.1685723 50.3726059 50.5064339
50.5793427 50.8158076 51.0264156 51.1127571 51.1825051
51.5554260 51.7564027 51.8322799 51.9720618 52.2391780
52.5817218 52.7435721 52.9209584 53.1099845 53.1403928
53.5015413 53.5985059 53.7401760 53.8370577 54.1194755
54.3614122 54.7021880 54.9183781 55.1091165 55.2175075
55.4305683 55.4819120 55.6757028 55.7488160 55.9316888
56.2022670 56.3234132 56.4230485 56.6493404 56.8078317
56.9537232 57.3232119 57.3552807 57.4144266 57.5945132
57.7413853 57.7769941 58.0228358 58.2771612 58.4056266
58.6277345 58.7242205 58.9706153 59.2467108 59.3459244
59.4828110 59.9183118 59.9464026 60.0344181 60.3010823
60.3941002 60.7425764 60.8940084 61.0461954 61.1110428
61.4183744 61.6823999 61.7242688 61.7891305 61.8775536
62.1200738 62.5706912 62.7151711 62.9092395 63.0423092
63.2337185 63.2897977 63.3843829 63.6278476 63.8226554
64.0653310 64.2551657 64.3441055 64.5728480 64.8796614
64.9845102 65.5037474 65.6809669 65.8178773 66.0959415
66.2457389 66.6474876 66.7228639 67.0531073 67.3381971
67.4238705 67.7053008 67.8788929 68.1023639 68.2013327
68.3804819 68.6066359 68.7881909 68.9844244 69.2289904
69.3053943 69.6910344 69.7755454 70.1161087 70.1789138
70.3515189 70.6749962 70.7369928 71.0387727 71.2906689
71.5611144 71.7943688 71.9747740 72.0971968 72.3448550
72.6858385 73.0749751 73.3366056 73.7228323 73.7803862
74.0454607 74.3455721 74.5282207 74.9326544 75.0382486
75.3281811 75.4142496 75.6468041 75.7484160 75.9611739
76.5421300 76.5631651 76.8167096 76.9562069 77.3063514
77.6219563 77.8629389 78.1424304 78.1959754 78.4866975
78.7009928 78.8866185 78.9535502 79.2474499 79.4688229
79.6832624 79.7775315 80.0994768 80.5543984 80.5944152
80.7816665 80.9805746 81.0790661 81.3734798 81.8894010
82.1745402 82.2982688 82.4747715 82.6762595 82.7320079
82.8617635 83.2375845 83.3359067 83.6883859 83.7608117
84.2195376 84.3677776 84.4873140 84.6237064 84.8679950
85.0881907 85.3553191 85.4089129 85.6199085 85.8571537
85.9693456 86.4133157 86.6661490 87.0072160 87.1535454
87.5784012 88.0276632 88.2288232 88.2685310 88.3268811
88.8844837 88.9990816 89.0841268 89.5921593 89.9600126
90.2201806 90.4264754 90.7363648 90.8244209 91.2366033
91.4703207 91.5497256 91.8282674 92.2072658 92.7273441
92.9995371 93.1196619 93.4966327 93.8138724 93.8559891
93.9595584 94.0110711 94.2374880 94.5341230 94.5818667
94.9580211 95.3719419 95.6997136 96.2145875 96.5743833
97.0024697 97.1581732 97.5771192 97.8564549 98.1813312
98.6314106 98.7078904 99.1376035 99.3759685 99.5553950
99.6403727 100.3261680 100.5382939 100.8613732 101.2794660
101.5896872 102.0734359 102.3689320 102.6137994 103.1334310
103.5102592 103.8474043 104.2413461 104.6109766 105.2139931
105.3018380 105.4043588 105.9538164 106.2874364 106.4897199
106.6383330 107.2375366 107.5584030 107.9564664 108.5158190
108.6825786 108.7925671 109.8154966 109.8474939 110.2999112
110.5472204 111.1406394 111.4589617 111.9408895 112.3373745
112.8793833 113.1716011 114.2124223 114.5121119 114.7841624
115.0986942 115.4807950 116.4189434 116.4763586 117.8850511
118.5790546 119.2736998 119.6696653 120.4069371 120.6762050
121.2532237 121.7563323 122.4571872 122.7782329 123.0652722
123.8031486 123.9118027 125.2814569 125.8916186 126.2227339
126.8495571 128.3648288 128.5332861 129.7977697 130.4222490
131.6002117 132.2682998 133.0960315 133.8505104 134.6872703
135.4307111 136.3387969 136.9083893 138.3431972 139.1146986
139.4879666 140.1077458 141.4919031 141.9114913 143.9304953
145.6144824 147.2644710 147.8063587 153.0127269 155.2735787
155.9736266 157.4310826 160.4239199 167.9832124
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034291 0.0034343 0.0034401 0.0034417 0.0034520
0.0034611 77.6525470 98.8888388 100.4422918 105.0974191
118.4229235 130.1968952 134.2392216 145.8399101 149.7158759
156.0273215 160.8431326 171.6659262 186.5731122 190.9939646
195.5001031 199.4117112 207.9944692 213.7159417 214.8736127
219.3084897 220.6223338 226.0987026 230.6092531 235.3794726
238.6819450 243.6915382 244.1989171 261.3437516 262.3304072
267.7565002 272.6625604 278.8544329 285.0528446 294.7539300
300.1277877 301.9658124 308.9277653 315.3904815 316.5150583
317.4519525 318.7128526 325.6071636 329.1884112 334.0345860
336.9627732 341.5455425 343.7759610 348.0050998 348.4219069
352.6161011 361.0603618 362.7804410 364.8890729 365.6855359
374.2126745 374.5148800 382.4097236 385.7757651 392.0823738
395.5773018 400.8204811 404.1666454 406.9020768 411.5122433
413.8623758 419.7916789 424.0906535 426.5226919 427.8153197
429.6272186 434.5690506 439.8966834 442.8365422 445.5053203
448.4003093 449.5628367 453.6605464 454.4228637 459.0478619
461.4973910 464.2280072 466.3391754 469.6073599 473.3311253
476.5574121 478.2509466 480.7305104 482.5961918 484.7008838
485.4858604 490.7482236 492.3995377 494.1457553 497.8336531
501.8669361 504.3888432 506.7289993 507.4784178 508.9818434
512.5157228 514.4546349 518.5699822 520.5159583 521.4912028
522.6318462 526.2780184 528.3060327 531.3179844 534.7264581
535.8098285 537.2157011 539.1268800 541.0473286 545.1401574
548.6562250 550.8359312 551.2636531 552.0674380 556.3706100
557.0544371 559.5898585 561.5857196 562.5420315 563.9896763
564.8457204 567.8181556 569.3938633 570.7568825 572.3610840
574.6473531 577.0408549 577.1936773 579.5631395 582.1051617
583.1952252 585.9577477 586.8461647 587.8369995 589.9232434
590.7278291 593.2459848 595.5436690 596.1016696 599.9375914
600.2230042 603.1009349 603.1438079 605.6412774 607.0184710
609.3291975 611.4393503 614.8761116 616.3114587 617.2350435
620.0974982 622.2693573 623.3610098 625.2463008 627.1283175
628.1051562 629.0220946 631.1814059 633.9660377 634.5585074
635.9598182 636.9402438 638.4040752 640.1528525 642.8424159
643.2594367 644.2561797 644.9548424 647.6332815 649.6598020
653.5268615 654.6259337 655.0495996 656.8789292 657.7427112
659.4756190 661.2117071 662.6064201 663.3711344 664.7198602
666.4415810 667.3176896 668.3739351 670.1988179 671.6178676
672.4492437 674.9089586 675.8759298 676.7033886 677.4448045
677.8664546 680.9364521 682.0865500 683.4724198 684.3225203
686.2975210 688.0179023 690.3071636 691.1462787 692.4519009
692.9372238 694.2328954 695.5475870 696.1785332 697.0499989
698.5487572 699.3679033 701.0141383 701.7587462 701.9627994
703.6280289 705.4544116 706.2370840 707.7284697 709.0402210
710.0608899 711.3696547 714.0691213 714.8149017 715.6894698
717.4295900 718.4810438 718.7730559 719.4091659 720.9816298
722.2878377 723.3468598 723.7815459 724.3161719 725.8000410
727.2315068 727.5290349 728.0500360 730.1728333 730.3410534
732.4432853 733.8506529 735.4737088 735.7773091 737.6330687
738.5769476 740.0647280 740.2463036 740.4517421 741.1584559
742.7280331 744.9054924 745.9601864 747.1832220 747.9137963
748.5559091 751.2656288 751.5648405 752.8747681 754.1878271
755.7559833 757.4815037 757.6338644 758.4330138 759.4564942
761.3687603 762.8921614 763.8538305 764.5831776 765.3885461
766.8211682 767.9505592 769.1501895 770.7126540 771.7357748
772.2925956 774.0957732 775.6982496 776.3542493 776.8837717
779.7088617 781.2271393 781.7995867 782.8530597 784.8622615
787.4313146 788.6422681 789.9673294 791.3768968 791.6034173
794.2887789 795.0082256 796.0582044 796.7754400 798.8625641
800.6461972 803.1517855 804.7372999 806.1335656 806.9259456
808.4812382 808.8555876 810.2669674 810.7988136 812.1275557
814.0895826 814.9665106 815.6870247 817.3210969 818.4636327
819.5139303 822.1679416 822.3978852 822.8218131 824.1112372
825.1613542 825.4157507 827.1699633 828.9808043 829.8939991
831.4704828 832.1543936 833.8983408 835.8481829 836.5477391
837.5119690 840.5722810 840.7692960 841.3862934 843.2528809
843.9030139 846.3341876 847.3884921 848.4467327 848.8972515
851.0291558 852.8563975 853.1458004 853.5939380 854.2044859
855.8768152 858.9754600 859.9666038 861.2961336 862.2065871
863.5145126 863.8973345 864.5426312 866.2014301 867.5264302
869.1741818 870.4609729 871.0631957 872.6101310 874.6807476
875.3872265 878.8775141 880.0656068 880.9823669 882.8413715
883.8412249 886.5172109 887.0183819 889.2108114 891.0991359
891.6658216 893.5248107 894.6695478 896.1410539 896.7919702
897.9690302 899.4527262 900.6420588 901.9257843 903.5231392
904.0215841 906.5332451 907.0827333 909.2937019 909.7008517
910.8188695 912.9104474 913.3107650 915.2568862 916.8781537
918.6156245 920.1115261 921.2668310 922.0499955 923.6322859
925.8064084 928.2813351 929.9416143 932.3871642 932.7510407
934.4251094 936.3168396 937.4662828 940.0064615 940.6685514
942.4840750 943.0223533 944.4752305 945.1093467 946.4357006
950.0480085 950.1785443 951.7505369 952.6143228 954.7790223
956.7259905 958.2099503 959.9281722 960.2569979 962.0403952
963.3528485 964.4882704 964.8973461 966.6915632 968.0408188
969.3460249 969.9192468 971.8743494 974.6303017 974.8723538
976.0041952 977.2050601 977.7991360 979.5728157 982.6732352
984.3825843 985.1233885 986.1792053 987.3831011 987.7159401
988.4901960 990.7293176 991.3142812 993.4085101 993.8382763
996.5559964 997.4326605 998.1390157 998.9443657 1000.3851846
1001.6821268 1003.2532502 1003.5681677 1004.8070187 1006.1981710
1006.8553703 1009.4518656 1010.9275447 1012.9147996 1013.7662054
1016.2341535 1018.8373717 1020.0008265 1020.2303285 1020.5674858
1023.7838098 1024.4435744 1024.9329232 1027.8512828 1029.9592302
1031.4474972 1032.6260623 1034.3939415 1034.8957393 1037.2413800
1038.5690618 1039.0197521 1040.5991703 1042.7443669 1045.6809368
1047.2145648 1047.8906744 1050.0095891 1051.7894534 1052.0255213
1052.6058122 1052.8943146 1054.1614509 1055.8192603 1056.0858428
1058.1837989 1060.4875954 1062.3083602 1065.1621885 1067.1519250
1069.5144980 1070.3725194 1072.6777601 1074.2120494 1075.9937243
1078.4571707 1078.8752129 1081.2210404 1082.5200959 1083.4969179
1083.9592405 1087.6831298 1088.8324007 1090.5804764 1092.8384877
1094.5109020 1097.1137227 1098.7006120 1100.0138780 1102.7955709
1104.8084271 1106.6062099 1108.7031608 1110.6671027 1113.8636514
1114.3285461 1114.8708637 1117.7729165 1119.5313159 1120.5961414
1121.3777996 1124.5239122 1126.2050046 1128.2870690 1131.2062776
1132.0751235 1132.6478180 1137.9602582 1138.1260318 1140.4673633
1141.7451982 1144.8055489 1146.4438182 1148.9196497 1150.9525383
1153.7257724 1155.2181678 1160.5181885 1162.0397720 1163.4193027
1165.0122141 1166.9443960 1171.6748474 1171.9637336 1179.0294368
1182.4948882 1185.9534036 1187.9203395 1191.5740448 1192.9056687
1195.7542334 1198.2324007 1201.6760900 1203.2502749 1204.6559739
1208.2620228 1208.7921135 1215.4544214 1218.4106568 1220.0119134
1223.0374567 1230.3206213 1231.1276513 1237.1686185 1240.1411623
1245.7289987 1248.8870598 1252.7887175 1256.3345288 1260.2553678
1263.7287319 1267.9584111 1270.6042711 1277.2449213 1280.8013891
1282.5185401 1285.3646539 1291.6982593 1293.6120795 1302.7818222
1310.3809344 1317.7841239 1320.2064166 1343.2568306 1353.1441415
1356.1910232 1362.5125816 1375.4026040 1407.4345933
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404250513002475771.eigenfacs
Openam> file on opening on unit 10:
2404250513002475771.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404250513002475771.atom
Openam> file on opening on unit 11:
2404250513002475771.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 = 195
First residue number = 1
Last residue number = 288
Number of atoms found = 198
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: 9.9717E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0036E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0045E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0105E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0159E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5114
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8293
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8555
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9367
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.189
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.438
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.528
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.804
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.901
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.064
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.499
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.952
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.093
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.241
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.372
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.669
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.915
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.079
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.128
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.335
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.698
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.831
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.036
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.057
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.792
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.836
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.080
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.594
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.891
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.639
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.733
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.093
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.435
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.496
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.546
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.614
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.991
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.190
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.629
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: 10.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 16.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 17.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 17.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 18.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 18.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 19.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 19.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 21.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 22.28
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 594 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 : 0.511400
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= 0.248 for 197 C-alpha atoms.
Bfactors> = 1.557 +/- 2.47
Bfactors> = 12.786 +/- 8.34
Bfactors> Shiftng-fct= 11.229
Bfactors> Scaling-fct= 3.369
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404250513002475771 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=0
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=100
2404250513002475771.eigenfacs
2404250513002475771.atom
making animated gifs
11 models are in 2404250513002475771.7.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 2404250513002475771.7.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 2404250513002475771.7.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 2404250513002475771 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=0
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=100
2404250513002475771.eigenfacs
2404250513002475771.atom
making animated gifs
11 models are in 2404250513002475771.8.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 2404250513002475771.8.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 2404250513002475771.8.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 2404250513002475771 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=0
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=100
2404250513002475771.eigenfacs
2404250513002475771.atom
making animated gifs
11 models are in 2404250513002475771.9.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 2404250513002475771.9.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 2404250513002475771.9.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 2404250513002475771 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=0
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=100
2404250513002475771.eigenfacs
2404250513002475771.atom
making animated gifs
11 models are in 2404250513002475771.10.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 2404250513002475771.10.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 2404250513002475771.10.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 2404250513002475771 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=0
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=100
2404250513002475771.eigenfacs
2404250513002475771.atom
making animated gifs
11 models are in 2404250513002475771.11.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 2404250513002475771.11.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 2404250513002475771.11.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 2404250513002475771 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=0
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=100
2404250513002475771.eigenfacs
2404250513002475771.atom
making animated gifs
11 models are in 2404250513002475771.12.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 2404250513002475771.12.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 2404250513002475771.12.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 2404250513002475771 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=0
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=100
2404250513002475771.eigenfacs
2404250513002475771.atom
making animated gifs
11 models are in 2404250513002475771.13.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 2404250513002475771.13.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 2404250513002475771.13.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 2404250513002475771 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=0
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=100
2404250513002475771.eigenfacs
2404250513002475771.atom
making animated gifs
11 models are in 2404250513002475771.14.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 2404250513002475771.14.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 2404250513002475771.14.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 2404250513002475771 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=0
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=100
2404250513002475771.eigenfacs
2404250513002475771.atom
making animated gifs
11 models are in 2404250513002475771.15.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 2404250513002475771.15.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 2404250513002475771.15.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 2404250513002475771 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=-20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=0
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=20
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=40
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=60
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=80
2404250513002475771.eigenfacs
2404250513002475771.atom
calculating perturbed structure for DQ=100
2404250513002475771.eigenfacs
2404250513002475771.atom
making animated gifs
11 models are in 2404250513002475771.16.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 2404250513002475771.16.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 2404250513002475771.16.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
2404250513002475771.10.pdb
2404250513002475771.11.pdb
2404250513002475771.12.pdb
2404250513002475771.13.pdb
2404250513002475771.14.pdb
2404250513002475771.15.pdb
2404250513002475771.16.pdb
2404250513002475771.7.pdb
2404250513002475771.8.pdb
2404250513002475771.9.pdb
STDERR:
real 0m2.996s
user 0m2.988s
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: 2404250513002475771.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
|
