*** ***
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 = 2402161548003060285.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 2402161548003060285.atom to be opened.
Openam> File opened: 2402161548003060285.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 183
First residue number = 96
Last residue number = 288
Number of atoms found = 191
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 33.615000 +/- 9.083641 From: 11.460000 To: 53.033000
= 27.826827 +/- 8.647172 From: 6.241000 To: 48.000000
= 97.849775 +/- 9.283235 From: 77.117000 To: 117.891000
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 9.9975 % Filled.
Pdbmat> 16441 non-zero elements.
Pdbmat> 1700 atom-atom interactions.
Pdbmat> Number per atom= 17.80 +/- 5.98
Maximum number = 32
Minimum number = 6
Pdbmat> Matrix trace = 34000.0
Pdbmat> Larger element = 125.685
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 191 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) = 573
Diagstd> Number of non-zero elements 16441
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 34000.0000006
%Diagstd-Wn: Nb on non-zero elements there: 573
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 573 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 34000.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5574099 0.7210268 0.8851275 0.9132344
1.0831033 1.5342392 1.5651056 1.8149753 2.0110554
2.2174717 2.2978599 2.4157228 2.7723174 2.8654252
3.1129886 3.2490481 3.5549281 3.6600797 3.8609083
4.1047473 4.2493634 4.3996598 4.6740184 4.7590197
5.0467564 5.1716546 5.4218393 5.4975448 5.8925646
6.1041797 6.2255455 6.6003539 6.6514952 6.6904311
6.9647112 7.0473995 7.3471873 7.6128859 7.8749838
8.0612196 8.1379208 8.1911347 8.3625538 8.9949765
9.2426824 9.3931049 9.6716769 10.0249882 10.2592477
10.5138234 10.7958118 10.8342932 11.0813377 11.2690911
11.4425151 11.4803639 11.7474557 12.0016103 12.1264256
12.5553434 12.7977814 12.9084758 13.2266704 13.4822502
13.6063654 13.8854097 14.2827949 14.3585672 14.7273935
14.7821184 14.9658710 15.0969791 15.2919515 15.3419331
15.7304234 16.0643255 16.4403325 16.5895788 16.8404712
17.1285630 17.3415427 17.5322588 17.7523670 17.8255381
17.9212560 18.0428096 18.3746613 18.6771722 18.7567295
18.8302341 19.0736725 19.3505966 19.7897242 19.8517040
19.9775092 20.1545065 20.6041587 20.9894745 21.1415595
21.2579226 21.5478011 21.6765137 21.8536176 22.1081747
22.2772947 22.5948139 22.7909882 22.9295894 23.1315983
23.4811855 23.8700601 24.0026128 24.1415666 24.4555960
24.5948953 24.7930277 24.9703144 25.1848596 25.3428465
25.4966243 25.6715639 25.7674854 25.9288428 26.3222187
26.5076305 26.6463312 26.7891465 26.9400296 27.1317207
27.3829740 27.5740126 27.6888702 27.9190915 27.9702284
28.1413707 28.3607234 28.5442046 28.6433540 28.8235925
28.9533912 29.1444830 29.3139528 29.4678483 29.6454403
30.0214858 30.1701196 30.4066291 30.4736018 30.9029438
31.1204622 31.4107583 31.5183541 31.6101499 31.8876616
31.9352321 32.1347446 32.3718292 32.4144484 32.7447587
33.0574798 33.2270285 33.3546865 33.7126675 33.7331902
33.7975344 33.9748345 34.2103909 34.5028339 34.6554795
34.9353253 35.0053825 35.1274443 35.1665025 35.2211094
35.5093652 35.5812175 35.8668148 36.0465281 36.0699501
36.1457782 36.2947148 36.5038921 36.7314296 36.9705081
37.0713989 37.1972262 37.3673571 37.5973733 37.7255109
38.0526187 38.3038977 38.4819152 38.5626688 38.7464264
38.8266286 39.0895325 39.1775179 39.4360937 39.7671941
39.9007832 39.9882624 40.1530063 40.2683046 40.4464178
40.6893043 40.7662146 40.9857528 41.2088660 41.3484869
41.5359807 41.7010122 41.8631970 42.1248522 42.2661073
42.4062927 42.6510733 42.8245062 42.9715344 43.1453289
43.2416966 43.3458564 43.7251868 43.8855359 44.0801079
44.2791078 44.3515012 44.3990588 44.7055873 44.7191754
45.2014898 45.2907137 45.5010235 45.6959103 45.7061036
45.8984604 46.0806942 46.3383100 46.5734661 46.6552510
46.8745414 47.1960852 47.2739717 47.3958365 47.6813956
47.8217577 48.0104711 48.2100695 48.3353773 48.5613430
48.7920397 48.8129771 48.9050228 49.0277654 49.1021030
49.2376201 49.3223012 49.5825404 49.7534303 50.0221646
50.2073952 50.3341756 50.6928964 50.7928941 50.9308861
50.9442603 51.0713643 51.0980618 51.4589818 51.5853067
51.7884372 51.9296370 51.9688698 52.2278813 52.3447859
52.5464245 52.8097978 53.1265883 53.4099644 53.5104899
53.5967314 53.7184258 54.0405353 54.1321030 54.3029453
54.5320252 54.7431821 54.8870239 55.0178899 55.1556275
55.4127220 55.4637152 55.6361262 55.7727465 55.9193124
56.0771857 56.1817243 56.3271038 56.4940476 56.7959149
57.0211532 57.1604136 57.3713981 57.9108663 58.0226400
58.3493483 58.6444518 58.8281804 58.9888339 59.4412476
59.5002351 59.8999498 60.1447715 60.1851248 60.4171577
60.4631841 60.5778597 60.6099772 60.8079260 61.1751986
61.3668795 61.6573758 61.8838487 62.0168318 62.2463748
62.5243016 62.7170180 62.8711699 62.9500389 63.1946324
63.8849979 64.0011918 64.2477039 64.3006398 64.5665865
64.8254679 65.0533519 65.3115384 65.4461206 65.6746837
65.8218781 66.2305968 66.5044951 66.5879362 66.6177705
66.6778669 67.2312039 67.4645334 67.5738265 67.9728096
68.2073685 68.2999694 68.3962934 68.7961471 68.9837596
69.2026974 69.5032316 69.5867296 69.8941127 70.1124521
70.1819293 70.4458334 70.5408904 70.6511021 71.0819366
71.1207916 71.2069460 71.5660068 71.7532826 71.9537606
72.0464732 72.4367435 72.5089645 72.6655157 72.8956227
73.2485800 73.5576999 73.9347621 74.1441845 74.3732924
74.6721050 74.8615801 74.8996118 75.2307772 75.3782347
75.6244953 75.9542607 76.3566624 76.5411110 76.6235308
76.9179088 77.0997088 77.3058383 77.6349204 77.9438989
78.1798264 78.3906026 78.8246269 79.2181223 79.4396804
79.5349957 79.7388865 80.2691615 80.3960414 80.4820951
80.7684099 81.0824318 81.2667508 81.4726098 81.7892476
82.0253443 82.0599872 82.1887682 82.4995370 83.0179458
83.1966052 83.2863337 83.4402747 83.7433584 83.9297543
84.3401412 84.8302392 85.2379571 85.4008597 85.4611012
85.7671229 86.1204538 86.5317491 86.9243424 87.1857162
87.5904240 87.8691014 88.0836758 88.4289218 88.6856540
88.8737406 89.1371878 89.5133357 89.6674524 89.7696245
90.2049399 90.4621055 90.6458002 90.7718207 90.9890635
91.1414956 91.5262449 91.6469902 91.9342574 92.0856969
92.4884361 92.7677948 93.2366034 93.2745691 93.5262562
93.9685904 94.2535140 94.5516326 95.1124243 95.5882899
95.7854379 95.8674646 96.1742213 96.5265753 96.7422600
96.9211756 97.0845339 97.4931777 97.8649076 98.2504595
98.5160556 99.4212210 99.6303535 100.1482804 100.5895231
100.7943789 101.3616494 101.8728668 101.9294439 102.5272254
102.9901041 103.1055034 103.1739294 103.2813597 103.8931628
104.3818139 104.7743406 105.0938122 105.4513025 105.5968932
106.1194291 106.5981192 106.9133788 107.3165473 107.9050797
108.1567341 108.5923721 108.9515306 109.3184031 109.6034279
109.6681717 110.7696195 111.0813167 111.4378104 111.8116037
112.3959007 112.5158324 112.9324343 113.7006278 113.7520015
114.7232979 115.4011096 115.6457508 115.9311363 116.5723866
117.4058585 117.7518712 118.0169156 118.6392489 119.1937431
119.7976141 120.0054327 120.7547103 121.4470111 121.6206932
121.8621588 123.0704098 123.2211972 123.6545883 123.8012378
125.2897521 126.3771935 126.8337648 127.2346337 128.0470641
128.5846513 128.7151643 129.5751630 130.6939568 131.1142790
131.7109063 132.1854558 133.1563289 133.4956992 134.1019450
135.1966776 136.4297756 136.6633090 137.0290066 138.0652864
140.8212119 141.1991900 142.9271436 144.4045575 145.8083365
147.1192938 148.7345639 149.8143127 150.4991946 153.9228016
156.5530436 158.5196837 160.5387191 160.9307549 165.6158567
168.8914614 172.9378398 175.1546074
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034191 0.0034271 0.0034305 0.0034325 0.0034490
0.0034516 81.0741886 92.2085052 102.1640718 103.7734863
113.0134738 134.5060500 135.8523328 146.2953907 153.9952388
161.7053251 164.6103173 168.7791630 180.8076298 183.8187557
191.5949434 195.7371905 204.7437678 207.7497695 213.3732767
220.0080114 223.8500618 227.7743568 234.7688596 236.8939830
243.9503541 246.9505708 252.8532853 254.6124692 263.6012452
268.2927483 270.9467756 278.9837400 280.0624738 280.8809795
286.5806318 288.2768216 294.3444402 299.6194074 304.7334395
308.3157115 309.7790268 310.7901984 314.0253749 325.6831549
330.1370720 332.8126824 337.7117499 343.8248121 347.8187880
352.1077780 356.7984278 357.4337618 361.4859115 364.5354131
367.3296851 367.9366981 372.1921316 376.1967510 378.1478926
384.7774195 388.4745958 390.1510338 394.9303822 398.7277589
400.5588630 404.6454197 410.3948288 411.4819918 416.7333198
417.5068623 420.0938074 421.9299042 424.6457051 425.3391144
430.6906918 435.2377209 440.3019188 442.2959471 445.6279269
449.4234666 452.2089412 454.6887583 457.5340430 458.4759982
459.7052908 461.2616666 465.4842081 469.3003109 470.2987645
471.2193766 474.2555711 477.6859411 483.0756545 483.8315399
485.3621993 487.5075705 492.9157817 497.5034113 499.3025570
500.6747513 504.0768575 505.5801306 507.6413023 510.5893169
512.5385142 516.1782071 518.4141641 519.9881176 522.2736333
526.2053867 530.5447682 532.0158113 533.5535388 537.0125142
538.5397566 540.7045989 542.6343538 544.9605283 546.6671490
548.3232014 550.2010868 551.2280376 552.9512544 557.1299769
559.0887257 560.5495278 562.0496977 563.6302769 565.6319715
568.2449534 570.2237020 571.4100810 573.7806801 574.3059115
576.0602433 578.3009851 580.1686442 581.1753894 583.0010471
584.3122613 586.2373143 587.9392753 589.4805676 591.2541913
594.9923358 596.4633954 598.7967277 599.4558109 603.6639018
605.7846983 608.6035634 609.6450405 610.5321770 613.2063119
613.6635371 615.5774562 617.8440956 618.2506737 621.3927438
624.3529251 625.9520009 627.1532999 630.5097962 630.7016798
631.3029082 632.9566328 635.1470694 637.8560279 639.2654549
641.8413256 642.4845583 643.6037368 643.9614494 644.4612302
647.0930486 647.7474056 650.3418249 651.9690819 652.1808627
652.8660273 654.2096927 656.0921875 658.1338009 660.2721663
661.1724787 662.2935998 663.8064555 665.8463639 666.9800520
669.8654136 672.0734894 673.6334116 674.3398444 675.9446069
676.6438225 678.9308118 679.6944745 681.9338133 684.7905440
685.9397810 686.6913028 688.1043661 689.0915951 690.6138950
692.6844085 693.3387505 695.2031617 697.0928238 698.2727454
699.8541055 701.2430635 702.6053879 704.7976957 705.9783876
707.1481895 709.1861775 710.6266041 711.8454460 713.2834905
714.0796271 714.9391413 718.0606324 719.3760638 720.9690217
722.5945986 723.1850547 723.5726820 726.0661374 726.1764717
730.0820230 730.8022272 732.4970218 734.0640356 734.1459039
735.6891299 737.1481616 739.2058164 741.0790911 741.7294888
743.4705946 746.0162172 746.6315297 747.5932591 749.8419952
750.9448575 752.4250815 753.9875226 754.9667702 756.7294306
758.5247693 758.6874993 759.4024833 760.3548666 760.9310865
761.9804112 762.6353743 764.6446735 765.9612422 768.0270582
769.4477350 770.4186014 773.1590311 773.9212287 774.9717944
775.0735393 776.0398267 776.2426375 778.9792236 779.9347824
781.4688711 782.5334730 782.8290193 784.7773940 785.6552086
787.1669752 789.1372291 791.5005919 793.6087076 794.3552017
794.9950654 795.8970937 798.2797294 798.9557559 800.2155252
801.9016248 803.4526718 804.5075454 805.4660601 806.4736745
808.3510794 808.7229338 809.9789307 810.9728146 812.0376986
813.1831767 813.9407881 814.9932112 816.2000666 818.3777819
819.9989163 820.9996305 822.5134282 826.3714629 827.1685673
829.4940692 831.5890183 832.8906524 834.0271448 837.2193135
837.6346247 840.4434745 842.1592438 842.4417136 844.0640928
844.3855399 845.1858995 845.4099218 846.7893273 849.3427308
850.6723178 852.6833812 854.2479359 855.1652961 856.7464466
858.6569809 859.9792659 861.0354874 861.5753828 863.2475932
867.9500304 868.7389844 870.4104288 870.7689355 872.5678230
874.3153645 875.8507772 877.5871127 878.4908338 880.0235112
881.0091423 883.7402076 885.5656867 886.1210588 886.3195468
886.7192347 890.3909239 891.9346603 892.6568387 895.2882630
896.8316518 897.4402320 898.0728423 900.6941424 901.9214386
903.3515453 905.3109621 905.8545986 907.8530944 909.2699914
909.7203959 911.4291952 912.0439120 912.7561137 915.5349036
915.7850958 916.3396105 918.6470254 919.8482092 921.1323366
921.7255864 924.2186740 924.6792920 925.6769725 927.1414667
929.3833446 931.3423476 933.7263615 935.0478297 936.4913796
938.3707837 939.5605531 939.7991843 941.8745332 942.7971510
944.3359539 946.3926325 948.8962899 950.0416847 950.5530515
952.3772542 953.5020897 954.7758540 956.8058814 958.7079822
960.1578370 961.4512797 964.1092335 966.5126718 967.8633046
968.4437735 969.6842991 972.9032260 973.6718470 974.1928033
975.9241085 977.8194308 978.9302035 980.1692968 982.0721304
983.4885574 983.6962205 984.4678005 986.3272590 989.4213373
990.4854109 991.0193915 991.9348366 993.7347275 994.8400396
997.2692820 1000.1626359 1002.5632854 1003.5208533 1003.8747311
1005.6704776 1007.7398554 1010.1433788 1012.4322886 1013.9532930
1016.3039054 1017.9193564 1019.1614670 1021.1568269 1022.6380950
1023.7219377 1025.2381175 1027.3990292 1028.2830941 1028.8687691
1031.3603731 1032.8294814 1033.8775949 1034.5960203 1035.8333219
1036.7006138 1038.8864995 1039.5715453 1041.1995372 1042.0567471
1044.3329920 1045.9089921 1048.5484489 1048.7619106 1050.1759186
1052.6564024 1054.2510825 1055.9170348 1059.0437609 1061.6897544
1062.7840419 1063.2390069 1064.9387244 1066.8877516 1068.0790453
1069.0662443 1069.9668074 1072.2162709 1074.2584425 1076.3724548
1077.8263282 1082.7665397 1083.9047408 1086.7184201 1089.1097724
1090.2182224 1093.2817908 1096.0353063 1096.3396165 1099.5497461
1102.0290146 1102.6462471 1103.0120725 1103.5861812 1106.8499866
1109.4499119 1111.5339919 1113.2273133 1115.1190997 1115.8886255
1118.6461510 1121.1663417 1122.8230194 1124.9381003 1128.0185076
1129.3331144 1131.6052153 1133.4750065 1135.3817779 1136.8609489
1137.1966771 1142.8931038 1144.4999811 1146.3350337 1148.2559869
1151.2523143 1151.8663707 1153.9968548 1157.9150843 1158.1766467
1163.1108089 1166.5417122 1167.7775459 1169.2175528 1172.4467423
1176.6306700 1178.3632484 1179.6886754 1182.7949854 1185.5558272
1188.5552223 1189.5856970 1193.2936249 1196.7093816 1197.5647867
1198.7530192 1204.6811188 1205.4188879 1207.5368646 1208.2526984
1215.4946601 1220.7581534 1222.9613226 1224.8924344 1228.7968599
1231.3736217 1231.9983833 1236.1072742 1241.4322791 1243.4269493
1246.2528065 1248.4958892 1253.0724649 1254.6682770 1257.5139710
1262.6363550 1268.3813941 1269.4665043 1271.1638537 1275.9613790
1288.6332086 1290.3614592 1298.2329795 1304.9255373 1311.2528886
1317.1344110 1324.3452934 1329.1436888 1332.1783400 1347.2455571
1358.7077041 1367.2152027 1375.8946342 1377.5735784 1397.4820490
1411.2343119 1428.0397460 1437.1631174
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402161548003060285.eigenfacs
Openam> file on opening on unit 10:
2402161548003060285.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402161548003060285.atom
Openam> file on opening on unit 11:
2402161548003060285.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 183
First residue number = 96
Last residue number = 288
Number of atoms found = 191
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: 9.9137E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9601E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9799E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9916E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0088E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0103E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7210
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8851
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.083
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.534
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.565
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.815
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.011
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.217
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.298
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.416
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.772
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.249
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.555
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.660
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.861
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.249
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.400
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.674
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.759
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.172
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.498
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.104
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.226
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.600
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.651
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.690
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.965
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.347
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.875
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.061
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.191
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.363
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 8.995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.393
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.26
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: 10.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 10.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 11.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 12.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 12.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 13.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 13.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 14.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 15.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.84
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: 17.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 17.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 17.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 18.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 18.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 19.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 19.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.26
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 573 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 : 0.557400
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= 0.453 for 191 C-alpha atoms.
Bfactors> = 1.635 +/- 2.60
Bfactors> = 21.631 +/- 11.73
Bfactors> Shiftng-fct= 19.996
Bfactors> Scaling-fct= 4.514
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402161548003060285 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=0
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=100
2402161548003060285.eigenfacs
2402161548003060285.atom
making animated gifs
11 models are in 2402161548003060285.7.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 2402161548003060285.7.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 2402161548003060285.7.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 2402161548003060285 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=0
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=100
2402161548003060285.eigenfacs
2402161548003060285.atom
making animated gifs
11 models are in 2402161548003060285.8.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 2402161548003060285.8.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 2402161548003060285.8.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 2402161548003060285 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=0
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=100
2402161548003060285.eigenfacs
2402161548003060285.atom
making animated gifs
11 models are in 2402161548003060285.9.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 2402161548003060285.9.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 2402161548003060285.9.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 2402161548003060285 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=0
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=100
2402161548003060285.eigenfacs
2402161548003060285.atom
making animated gifs
11 models are in 2402161548003060285.10.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 2402161548003060285.10.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 2402161548003060285.10.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 2402161548003060285 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=0
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=100
2402161548003060285.eigenfacs
2402161548003060285.atom
making animated gifs
11 models are in 2402161548003060285.11.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 2402161548003060285.11.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 2402161548003060285.11.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 2402161548003060285 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=0
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=100
2402161548003060285.eigenfacs
2402161548003060285.atom
making animated gifs
11 models are in 2402161548003060285.12.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 2402161548003060285.12.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 2402161548003060285.12.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 2402161548003060285 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=0
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=100
2402161548003060285.eigenfacs
2402161548003060285.atom
making animated gifs
11 models are in 2402161548003060285.13.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 2402161548003060285.13.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 2402161548003060285.13.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 2402161548003060285 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=0
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=100
2402161548003060285.eigenfacs
2402161548003060285.atom
making animated gifs
11 models are in 2402161548003060285.14.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 2402161548003060285.14.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 2402161548003060285.14.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 2402161548003060285 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=0
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=100
2402161548003060285.eigenfacs
2402161548003060285.atom
making animated gifs
11 models are in 2402161548003060285.15.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 2402161548003060285.15.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 2402161548003060285.15.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 2402161548003060285 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=-20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=0
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=20
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=40
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=60
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=80
2402161548003060285.eigenfacs
2402161548003060285.atom
calculating perturbed structure for DQ=100
2402161548003060285.eigenfacs
2402161548003060285.atom
making animated gifs
11 models are in 2402161548003060285.16.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 2402161548003060285.16.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 2402161548003060285.16.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
2402161548003060285.10.pdb
2402161548003060285.11.pdb
2402161548003060285.12.pdb
2402161548003060285.13.pdb
2402161548003060285.14.pdb
2402161548003060285.15.pdb
2402161548003060285.16.pdb
2402161548003060285.7.pdb
2402161548003060285.8.pdb
2402161548003060285.9.pdb
STDERR:
real 0m2.715s
user 0m2.699s
sys 0m0.016s
../../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: 2402161548003060285.Chkmod.res: No such file or directory
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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