*** ***
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 = 2404131422233973524.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 2404131422233973524.atom to be opened.
Openam> File opened: 2404131422233973524.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 = 185
First residue number = 96
Last residue number = 290
Number of atoms found = 185
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 103.570773 +/- 9.463157 From: 82.027000 To: 123.532000
= -69.303546 +/- 8.267619 From: -89.237000 To: -50.120000
= -263.740389 +/- 9.498223 From: -283.712000 To: -242.915000
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 9.8483 % Filled.
Pdbmat> 15195 non-zero elements.
Pdbmat> 1565 atom-atom interactions.
Pdbmat> Number per atom= 16.92 +/- 5.20
Maximum number = 27
Minimum number = 5
Pdbmat> Matrix trace = 31300.0
Pdbmat> Larger element = 107.169
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 185 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) = 555
Diagstd> Number of non-zero elements 15195
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 31300.0000006
%Diagstd-Wn: Nb on non-zero elements there: 555
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 555 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 31300.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3973362 0.7952562 0.8617913 0.9077868
1.0734537 1.4376271 1.5897747 1.9263783 1.9819490
2.0757551 2.3435307 2.3998067 2.7254910 2.8816544
3.1202454 3.2394066 3.5572197 3.7444997 3.9244991
4.2945209 4.5351258 4.8212641 5.0117998 5.0376442
5.5406480 5.6140442 5.7079090 6.2194450 6.4432574
6.5198279 6.6826555 6.7289570 7.1666157 7.3440212
7.5460982 7.6712804 7.8464544 8.0730994 8.2966143
8.4418800 8.5891667 9.1019552 9.2900188 9.4725860
9.5846675 9.8748304 10.1142902 10.2496404 10.3598735
10.5125977 10.8971811 11.0994578 11.3211741 11.4420549
11.8100188 11.8999570 12.3927969 12.9552954 12.9807315
13.0789215 13.2464482 13.4776522 13.8528270 13.9582318
14.2951620 14.4076735 14.5654917 14.6915623 14.8652499
15.1081655 15.1291655 15.3845923 15.6462087 15.7088743
16.2785878 16.5400869 16.7713179 16.8334198 17.0227892
17.1266190 17.7615452 17.7802200 18.0234799 18.2129024
18.3620305 18.4649659 18.6014246 18.7330930 19.2055530
19.2513551 19.5423938 19.6533857 19.9518782 20.1882405
20.3358835 20.5062876 20.5284627 20.7485562 21.4028096
21.4903117 21.8649468 22.0423195 22.1070247 22.5271482
22.6753256 22.9152542 23.1251986 23.3210617 23.6791057
23.7890292 24.1839159 24.2665695 24.5088709 24.6325384
24.8014663 24.8360279 25.1274586 25.2231412 25.4981743
25.6450164 25.7243419 25.9541724 26.0413384 26.3531411
26.4512461 26.6596651 26.6979213 26.9256088 27.0827281
27.5385438 27.6504939 27.9841482 28.0536544 28.3951513
28.4566903 28.6305083 28.6838224 29.0277790 29.0848412
29.2732113 29.4811349 29.6976023 29.8042114 29.9347518
30.1325786 30.2142747 30.3266304 30.6474016 30.8197217
30.9046075 30.9710155 31.2749388 31.3810835 31.4724646
31.6925671 31.7382319 31.9195727 32.0491961 32.3245350
32.4968803 32.7062883 32.8168162 33.0613651 33.0770326
33.3067814 33.6223228 33.7846861 33.9676434 34.0432945
34.1733621 34.4402511 34.6476109 34.9393348 35.0335845
35.1488792 35.4569120 35.5750200 35.8325922 35.9230403
36.1055699 36.2391729 36.3835036 36.5038525 36.7057169
36.9752722 37.3337731 37.4846533 37.5367263 37.7761018
37.7912695 38.1364119 38.3239092 38.4802234 38.7480278
39.0018451 39.0727513 39.1387135 39.5819470 39.6818664
39.7343249 40.0976898 40.2647108 40.4546919 40.6030949
40.9765830 41.0300962 41.0851472 41.2775860 41.4096302
41.5100481 41.8310986 42.0022806 42.0547429 42.1868141
42.2746747 42.4485704 42.7112655 42.7301035 42.8389929
42.9695147 43.1579461 43.3688112 43.4834156 43.5870802
43.5979893 43.9426275 44.0530295 44.2485504 44.3163030
44.4080068 44.5698918 44.6507674 44.8588044 44.9727121
45.1498452 45.2169480 45.4625745 45.5987118 45.7791250
45.9990819 46.1053510 46.3187277 46.4506068 46.8411760
46.9413196 47.1513117 47.3562532 47.4131027 47.4974213
47.5780042 47.7608635 47.8821637 48.1311518 48.2171284
48.4647485 48.6086001 48.8800293 49.0231690 49.2741346
49.3545520 49.4685085 49.5705388 49.6778971 50.1583419
50.3222544 50.3743015 50.8007530 50.8079063 51.0288848
51.2825186 51.4060589 51.7473901 51.8085844 52.0375001
52.1856375 52.2629963 52.5739981 52.7524180 52.8389753
53.1410244 53.3060984 53.4941272 53.6563151 53.8151121
54.0788226 54.1957570 54.3124300 54.5319044 54.6683366
54.8461023 55.1408003 55.1951297 55.3233422 55.6788954
56.0658335 56.2978237 56.5109059 56.5688612 57.0209714
57.1395118 57.3281535 57.5356022 57.6705649 57.8318924
57.9801973 58.1634149 58.3557878 58.4350190 58.8430131
58.9695895 59.2142745 59.3549345 59.4183761 59.7027055
59.8283262 59.9428159 60.2046246 60.2819476 60.4699198
60.6594969 60.9663628 61.1498398 61.4314037 61.6000238
61.7784960 61.9716118 62.2159216 62.3912480 62.5481274
62.7362609 62.8389655 63.1284493 63.2390936 63.4194701
63.6734814 63.9309810 64.1554720 64.3671976 64.6382139
64.7034299 64.7942052 65.1614943 65.2399935 65.5478070
65.6541372 65.9477236 66.1724338 66.6212111 66.7794519
67.0224423 67.1696868 67.2927749 67.4643554 67.5461267
67.7525825 67.8803096 68.0710472 68.3666839 68.5867685
68.8794055 68.9617326 69.2170900 69.6055280 69.6412920
69.8895710 70.0311306 70.2328362 70.4693104 70.6831469
70.7575257 71.0352310 71.3370395 71.4831932 71.5928968
71.9709993 72.0799035 72.2890160 72.6042117 73.1385967
73.4689245 73.6962569 73.7472806 74.1652843 74.1752835
74.3396005 74.7620214 75.1375292 75.3260306 75.8139671
75.9278431 76.1702377 76.3256470 76.5363616 76.7946318
76.9422694 77.1934105 77.8609508 78.2447819 78.4246657
78.5018024 78.6524781 78.7784063 79.0150479 79.3943513
79.5502287 79.8652801 80.1270610 80.2958373 80.4587773
80.8566616 80.9291577 81.3346022 81.8513079 82.0547608
82.1561546 82.5198265 82.7759323 82.8646123 83.1129843
83.4996558 83.7094650 83.8727124 83.9694590 84.3170296
84.6127811 84.9743777 85.0314101 85.2642281 85.5970942
85.8758926 86.0552303 86.4885497 86.5698788 87.0818060
87.2803435 87.5460993 87.6895147 88.4046111 88.4975191
88.5727217 89.0675556 89.3609309 89.8210214 90.4223427
90.4367401 90.8851657 91.2057540 91.5237335 91.6277957
91.9340211 92.3377409 92.5968213 92.6639704 93.0847570
93.7302051 93.8178085 94.1287776 94.2460650 94.6864121
94.9083277 95.1801233 95.4671484 95.5797135 95.8404481
96.3705613 97.0642727 97.7310325 97.9995997 98.1197780
98.5363487 98.8989259 99.1812807 99.5857791 99.8303502
100.1840546 100.7151430 101.4588967 101.9176315 102.0884351
102.4623118 103.2332455 103.4055883 103.8443135 104.2268535
104.8587871 105.2041495 105.4732056 106.1762477 106.2586160
106.8550647 107.3617174 107.5004097 107.5492660 108.3132850
108.6439606 109.3409243 109.7627344 110.2021034 110.3500216
110.8560233 111.1864767 111.5064214 111.9694018 112.9942641
113.3843450 113.9238259 114.4928509 114.9057601 115.7288965
116.5659274 117.4790334 117.6211090 117.8440725 117.8616650
118.7795064 119.6009715 120.1666114 121.2091383 121.5334441
122.5010292 122.6416524 123.0659322 124.7023533 126.1299664
126.4562999 127.2219741 127.8870162 128.6713184 129.7462462
129.9086596 131.1171780 132.7099684 134.6924826 134.8840030
135.3288429 136.3585412 136.6993830 137.6418537 138.4455930
140.5404709 140.5937438 143.1184103 144.8995331 146.5004853
148.1546205 150.7511663 152.9014276 153.1630968 161.8483677
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034203 0.0034253 0.0034263 0.0034354 0.0034383
0.0034416 68.4501427 96.8386674 100.8083102 103.4635109
112.5089164 130.2022257 136.9187945 150.7183274 152.8767771
156.4527981 166.2381135 168.2222399 179.2741444 184.3385766
191.8181329 195.4465518 204.8097487 210.1319923 215.1232724
225.0363329 231.2543703 238.4381491 243.1040194 243.7300217
255.6086573 257.2960951 259.4381275 270.8139900 275.6436686
277.2766799 280.7177139 281.6885253 290.7048915 294.2810121
298.3022346 300.7663255 304.1809470 308.5428099 312.7848652
315.5112634 318.2517467 327.6141318 330.9813915 334.2177867
336.1892371 341.2401336 345.3528034 347.6558922 349.5203818
352.0872530 358.4696279 361.7813400 365.3768391 367.3222986
373.1819031 374.6001760 382.2785651 390.8579412 391.2414542
392.7183981 395.2255411 398.6597622 404.1703831 405.7051158
410.5724653 412.1850249 414.4363641 416.2260631 418.6792022
422.0861943 422.3794368 425.9300453 429.5362684 430.3955904
438.1306571 441.6357010 444.7120282 445.5346216 448.0336581
449.3979614 457.6523044 457.8928323 461.0145195 463.4307638
465.3241925 466.6266470 468.3476912 470.0023446 475.8923114
476.4594369 480.0474429 481.4087380 485.0507417 487.9153878
489.6962772 491.7436978 492.0095069 494.6399859 502.3780718
503.4039712 507.7728697 509.8282855 510.5760373 515.4047167
517.0970339 519.8255476 522.2013813 524.4081581 528.4183961
529.6434916 534.0213152 534.9331017 537.5971183 538.9517228
540.7966082 541.1732858 544.3391407 545.3745478 548.3398681
549.9165257 550.7663729 553.2212744 554.1494815 557.4571291
558.4937902 560.6897610 561.0919065 563.4794038 565.1210504
569.8568409 571.0139609 574.4488000 575.1617571 578.6518876
579.2785857 581.0450553 581.5857978 585.0623943 585.6371635
587.5305637 589.6134469 591.7741276 592.8353576 594.1322284
596.0921871 596.8997084 598.0085036 601.1628156 602.8505157
603.6801505 604.3283980 607.2863433 608.3160110 609.2010693
611.3275805 611.7678429 613.5130636 614.7575211 617.3926052
619.0362984 621.0276129 622.0760803 624.3896144 624.5375440
626.7027688 629.6643954 631.1829001 632.8896432 633.5940222
634.8032400 637.2772795 639.1928779 641.8781561 642.7433143
643.8000715 646.6149401 647.6909920 650.0314870 650.8513697
652.5028041 653.7089319 655.0094096 656.0918311 657.9034072
660.3147067 663.5080897 664.8474839 665.3091204 667.4271208
667.5610991 670.6025413 672.2490254 673.6186030 675.9585746
678.1688795 678.7850626 679.3577801 683.1937059 684.0554790
684.5074821 687.6302223 689.0608447 690.6845311 691.9502161
695.1253877 695.5791375 696.0456184 697.6738184 698.7888332
699.6355976 702.3359771 703.7715654 704.2109465 705.3158519
706.0499354 707.5006029 709.6864278 709.8429164 710.7467895
711.8287168 713.3877781 715.1284222 716.0726813 716.9257333
717.0154447 719.8438377 720.7475429 722.3452210 722.8980306
723.6455916 724.9633812 725.6208344 727.3092779 728.2321020
729.6648289 730.2068506 732.1874712 733.2829164 734.7321162
736.4951004 737.3453513 739.0496082 740.1009743 743.2059458
743.9999862 745.6622720 747.2810117 747.7294197 748.3939985
749.0285823 750.4665946 751.4189855 753.3701485 754.0427204
755.9764418 757.0975439 759.2084077 760.3192235 762.2629006
762.8846690 763.7648874 764.5521256 765.3795994 769.0717628
770.3273628 770.7256252 773.9810992 774.0355898 775.7170175
777.6424381 778.5785504 781.1591169 781.6208632 783.3457517
784.4599519 785.0411691 787.3734801 788.7083989 789.3551989
791.6081216 792.8366697 794.2337413 795.4368419 796.6130282
798.5624670 799.4253646 800.2854061 801.9007373 802.9032392
804.2075848 806.3652670 806.7624191 807.6988874 810.2901985
813.1008622 814.7813572 816.3218386 816.7403245 819.9976088
820.8495098 822.2033785 823.6896555 824.6551644 825.8078028
826.8659811 828.1714005 829.5398401 830.1027928 832.9956469
833.8910879 835.6193467 836.6112406 837.0582272 839.0585872
839.9408561 840.7441432 842.5781772 843.1190805 844.4325715
845.7552110 847.8917772 849.1666747 851.1194199 852.2867177
853.5204787 854.8534648 856.5368452 857.7428697 858.8205669
860.1111857 860.8149358 862.7954399 863.5512129 864.7818870
866.5119938 868.2623405 869.7854383 871.2194871 873.0516829
873.4919999 874.1045158 876.5784665 877.1063087 879.1730428
879.8858414 881.8509454 883.3520769 886.3424343 887.3944444
889.0074592 889.9834731 890.7985452 891.9334836 892.4738611
893.8367510 894.6788845 895.9349862 897.8784285 899.3224829
901.2389967 901.7774318 903.4454783 905.9769460 906.2096660
907.8235980 908.7425197 910.0502720 911.5810554 912.9630874
913.4433093 915.2340708 917.1762941 918.1153589 918.8195935
921.2426725 921.9394066 923.2757672 925.2864183 928.6853441
930.7801682 932.2190969 932.5417525 935.1808676 935.2439074
936.2792353 938.9355829 941.2906293 942.4706219 945.5181969
946.2280363 947.7372179 948.7035541 950.0122092 951.6137564
952.5280556 954.0813239 958.1977168 960.5566267 961.6601465
962.1329641 963.0558761 963.8265283 965.2730566 967.5871287
968.5365100 970.4525151 972.0416792 973.0648748 974.0516685
976.4571356 976.8947834 979.3387838 982.4446499 983.6648938
984.2724563 986.4485374 987.9781064 988.5071880 989.9875174
992.2877339 993.5336104 994.5019164 995.0753265 997.1326325
998.8798796 1001.0119833 1001.3478525 1002.7177727 1004.6731394
1006.3079701 1007.3581767 1009.8911994 1010.3659107 1013.3488847
1014.5033925 1016.0467254 1016.8786134 1021.0164503 1021.5528232
1021.9867737 1024.8375912 1026.5240350 1029.1632620 1032.6024656
1032.6846694 1035.2417590 1037.0660072 1038.8722463 1039.4626756
1041.1981990 1043.4818582 1044.9447285 1045.3235449 1047.6942609
1051.3203332 1051.8115179 1053.5532465 1054.2094222 1056.6693501
1057.9068781 1059.4205963 1061.0167877 1061.6421247 1063.0891803
1066.0252084 1069.8551526 1073.5234210 1074.9974428 1075.6563831
1077.9373315 1079.9187153 1081.4591919 1083.6622458 1084.9921038
1086.9124974 1089.7896205 1093.8061172 1096.2760881 1097.1943276
1099.2016093 1103.3290954 1104.2496881 1106.5897421 1108.6260870
1111.9818415 1113.8115447 1115.2349034 1118.9455845 1119.3795221
1122.5167650 1125.1748216 1125.9013504 1126.1571683 1130.1501423
1131.8739765 1135.4987242 1137.6868518 1139.9615997 1140.7263970
1143.3387634 1145.0415983 1146.6878724 1149.0659602 1154.3127142
1156.3034677 1159.0510402 1161.9420400 1164.0353793 1168.1972683
1172.4142593 1176.9972892 1177.7087867 1178.8244953 1178.9124830
1183.4939399 1187.5793408 1190.3842924 1195.5368371 1197.1351508
1201.8911825 1202.5808310 1204.6592040 1212.6419971 1219.5635063
1221.1401633 1224.8314958 1228.0286744 1231.7885300 1236.9230456
1237.6969796 1243.4406957 1250.9704561 1260.2797530 1261.1754359
1263.2533670 1268.0502192 1269.6340394 1274.0032523 1277.7175153
1287.3480587 1287.5920248 1299.1013438 1307.1600712 1314.3614475
1321.7608388 1333.2930664 1342.7682090 1343.9166969 1381.4953969
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404131422233973524.eigenfacs
Openam> file on opening on unit 10:
2404131422233973524.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404131422233973524.atom
Openam> file on opening on unit 11:
2404131422233973524.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 = 185
First residue number = 96
Last residue number = 290
Number of atoms found = 185
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: 9.9204E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9498E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9553E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0025E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0045E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3973
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7953
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8618
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9078
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.073
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: 1.590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.926
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.982
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.076
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.344
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.400
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.725
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.882
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.120
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.239
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.557
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.744
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.924
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.295
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.535
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.821
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 5.012
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.038
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.541
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.614
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.708
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.219
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.443
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.520
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.683
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.729
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.167
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.344
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.546
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.671
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.846
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.073
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.297
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.442
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.589
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.102
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.290
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.473
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.585
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.875
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.49
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 555 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 : 0.397300
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= 0.559 for 185 C-alpha atoms.
Bfactors> = 1.712 +/- 2.73
Bfactors> = 25.190 +/- 13.40
Bfactors> Shiftng-fct= 23.478
Bfactors> Scaling-fct= 4.909
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404131422233973524 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=0
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=100
2404131422233973524.eigenfacs
2404131422233973524.atom
making animated gifs
11 models are in 2404131422233973524.7.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 2404131422233973524.7.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 2404131422233973524.7.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 2404131422233973524 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=0
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=100
2404131422233973524.eigenfacs
2404131422233973524.atom
making animated gifs
11 models are in 2404131422233973524.8.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 2404131422233973524.8.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 2404131422233973524.8.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 2404131422233973524 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=0
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=100
2404131422233973524.eigenfacs
2404131422233973524.atom
making animated gifs
11 models are in 2404131422233973524.9.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 2404131422233973524.9.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 2404131422233973524.9.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 2404131422233973524 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=0
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=100
2404131422233973524.eigenfacs
2404131422233973524.atom
making animated gifs
11 models are in 2404131422233973524.10.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 2404131422233973524.10.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 2404131422233973524.10.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 2404131422233973524 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=0
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=100
2404131422233973524.eigenfacs
2404131422233973524.atom
making animated gifs
11 models are in 2404131422233973524.11.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 2404131422233973524.11.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 2404131422233973524.11.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 2404131422233973524 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=0
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=100
2404131422233973524.eigenfacs
2404131422233973524.atom
making animated gifs
11 models are in 2404131422233973524.12.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 2404131422233973524.12.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 2404131422233973524.12.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 2404131422233973524 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=0
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=100
2404131422233973524.eigenfacs
2404131422233973524.atom
making animated gifs
11 models are in 2404131422233973524.13.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 2404131422233973524.13.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 2404131422233973524.13.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 2404131422233973524 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=0
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=100
2404131422233973524.eigenfacs
2404131422233973524.atom
making animated gifs
11 models are in 2404131422233973524.14.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 2404131422233973524.14.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 2404131422233973524.14.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 2404131422233973524 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=0
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=100
2404131422233973524.eigenfacs
2404131422233973524.atom
making animated gifs
11 models are in 2404131422233973524.15.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 2404131422233973524.15.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 2404131422233973524.15.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 2404131422233973524 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=-20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=0
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=20
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=40
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=60
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=80
2404131422233973524.eigenfacs
2404131422233973524.atom
calculating perturbed structure for DQ=100
2404131422233973524.eigenfacs
2404131422233973524.atom
making animated gifs
11 models are in 2404131422233973524.16.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 2404131422233973524.16.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 2404131422233973524.16.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
2404131422233973524.10.pdb
2404131422233973524.11.pdb
2404131422233973524.12.pdb
2404131422233973524.13.pdb
2404131422233973524.14.pdb
2404131422233973524.15.pdb
2404131422233973524.16.pdb
2404131422233973524.7.pdb
2404131422233973524.8.pdb
2404131422233973524.9.pdb
STDERR:
real 0m2.488s
user 0m2.484s
sys 0m0.004s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404131422233973524.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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