*** ***
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 = 240503180010144827.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 240503180010144827.atom to be opened.
Openam> File opened: 240503180010144827.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:
= 103.388957 +/- 9.434173 From: 82.510000 To: 123.336000
= -69.120157 +/- 8.284463 From: -89.126000 To: -49.877000
= -263.967422 +/- 9.511788 From: -283.950000 To: -243.076000
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 9.8600 % Filled.
Pdbmat> 15213 non-zero elements.
Pdbmat> 1567 atom-atom interactions.
Pdbmat> Number per atom= 16.94 +/- 5.14
Maximum number = 28
Minimum number = 5
Pdbmat> Matrix trace = 31340.0
Pdbmat> Larger element = 106.784
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 15213
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 31340.0000006
%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 = 31340.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3949888 0.7760917 0.8750345 0.8951572
1.0791974 1.4436524 1.5968342 1.9318145 1.9898497
2.1007433 2.3325511 2.4141010 2.4312752 2.9102713
3.0515552 3.2724938 3.6871285 3.7344265 3.8010222
3.9301771 4.3794884 4.6853648 4.8571733 5.0069753
5.4678814 5.5745209 5.7797674 6.2256105 6.4999392
6.6675391 6.7678631 7.2004968 7.3064311 7.4242287
7.8732689 7.9282745 8.0335657 8.2513672 8.4937723
8.8355629 8.9489685 9.1057382 9.2934641 9.3373506
9.6301737 9.9772423 10.1975792 10.4594218 10.5978431
10.8424298 11.1666301 11.2619149 11.2941890 11.5495425
12.0440951 12.2573377 12.5836542 12.8280266 13.1262401
13.2782597 13.4239177 13.6783420 14.0108854 14.0824637
14.3385627 14.6512484 14.8122790 14.8346627 15.0752063
15.1277385 15.2239444 15.4548522 15.7820461 15.9172137
16.3957491 16.6653287 16.9316991 17.0524000 17.2505551
17.2739063 17.5853233 17.8936344 18.1601775 18.2358712
18.5040456 18.6945711 19.1334821 19.3871703 19.4314752
19.8155763 20.0291448 20.3284821 20.4373315 20.5776468
20.6823754 20.9580313 21.3491200 21.5369092 21.8013923
21.8414998 22.3257061 22.3846292 22.6174970 22.9198791
22.9815825 23.2087651 23.3506387 23.6750184 23.9617883
24.0752367 24.2750641 24.5932299 24.6341250 24.8172869
24.8553702 25.0940282 25.5929467 25.7081215 25.9358454
26.1100962 26.1479741 26.2859908 26.5241586 26.7257677
26.9320014 27.0225877 27.4582432 27.6155702 27.7245089
28.0047981 28.0207657 28.2137917 28.4718130 28.5370974
28.5539834 28.8444360 29.1016397 29.2133461 29.4125339
29.4683303 29.5780354 29.8382400 29.8939185 29.9546449
30.1898533 30.5487561 30.5850500 30.7459575 30.9593486
31.2389397 31.4522503 31.5670479 31.7418370 31.9454628
32.0294214 32.2215563 32.3339238 32.6006322 32.8390597
32.9294893 33.0992232 33.2974000 33.3395001 33.5799307
33.8769231 33.9846993 34.1892613 34.3919714 34.7234994
34.8218250 35.0057136 35.1926587 35.3036006 35.4316286
35.6144866 35.7375467 35.8852574 36.0015595 36.1569302
36.2506765 36.3565555 36.6205250 36.7708531 36.9102353
37.2373942 37.4289168 37.5899878 37.9375953 38.0241364
38.1860644 38.2638810 38.3877227 38.8016464 38.8785057
39.0061718 39.2923677 39.3799618 39.5514426 39.7933062
40.0103947 40.3483349 40.6480216 40.6722956 40.8332246
40.9535169 41.0886684 41.2124923 41.4421400 41.5229263
41.8427218 42.0495912 42.2420961 42.3179751 42.4168268
42.5837539 42.6574821 42.7608466 42.9132793 43.0636680
43.2861087 43.4082738 43.4123702 43.6304431 43.8615330
43.9567800 44.0468635 44.3916580 44.4345695 44.5206991
44.7209854 44.8023397 44.9676209 45.1120878 45.3328656
45.4209782 45.4707951 45.6865669 45.8962166 46.1156893
46.3327231 46.4631564 46.6374935 46.8016902 46.8879782
47.2792919 47.3071343 47.4022940 47.5295789 47.8542618
47.9226861 48.1527044 48.2471985 48.3579100 48.8054812
48.9562120 49.2001188 49.4805639 49.5570520 49.5790421
49.7321707 49.9516612 50.0119703 50.2382520 50.4074839
50.5743962 50.6951179 50.9373818 50.9840303 51.2249859
51.4272428 51.6160940 51.8766981 51.9188827 52.2242397
52.6738628 52.7217893 52.8684024 53.0634756 53.1774056
53.3476441 53.4561021 53.6470874 53.8203362 53.9258651
54.2760778 54.3646166 54.5011850 54.5930632 54.7940668
55.0507629 55.2643845 55.6162532 55.8295098 56.0860033
56.1496438 56.4230892 56.6705674 56.8241393 56.9218614
57.1248066 57.3416528 57.5392281 57.6727254 57.8032548
58.0451708 58.3328873 58.3712907 58.6718092 58.7318480
58.9572616 59.1573944 59.4461567 59.6774380 59.7957388
60.1723975 60.2868003 60.5129843 60.6796718 60.8429823
61.0798866 61.2049916 61.4889702 61.5658120 61.8892978
61.9462233 62.0630849 62.3800499 62.4826853 62.5174655
62.6084339 63.1809773 63.2686081 63.4156105 63.6867119
63.8431436 64.0119513 64.2960789 64.3815036 64.6882385
64.9693691 65.1040665 65.2157549 65.5088035 65.8104395
65.9408946 66.1064422 66.3926247 66.5535086 66.6432690
66.8380942 67.0502916 67.3562881 67.6295974 67.9205188
68.0050056 68.1011113 68.2629820 68.4411079 68.4716015
69.0292613 69.1878215 69.4047726 69.5082239 69.7159291
69.8792197 70.3164170 70.3560041 70.5492791 70.8472065
71.0070228 71.1844952 71.3988024 71.6916839 72.0342620
72.1203080 72.3857124 72.7611315 72.9132817 73.1293114
73.4208165 73.6078831 73.8102724 74.0649586 74.2837896
74.6716658 74.8355184 75.1178269 75.5964251 75.7946861
75.9510893 76.1316865 76.2371406 76.3653208 76.6183483
76.8052970 77.0464436 77.6306922 77.8482524 78.1537604
78.2287919 78.4410458 78.6420521 78.8201261 79.2223594
79.3422142 79.5552683 79.5837253 79.8924380 80.0974496
80.2624060 80.4381752 80.7909601 81.2337267 81.4672964
81.7713823 82.0103170 82.4624249 82.7981365 82.8418911
83.2341274 83.3791650 83.4936276 83.9263776 84.0885467
84.4401152 84.5512546 84.7277905 85.0512954 85.1734018
85.4162192 86.1270726 86.1956405 86.6709622 87.0724664
87.1511565 87.2767060 87.8109091 88.0361874 88.1932308
88.7055618 88.7547672 89.1185401 89.5755765 90.0537232
90.1655487 90.5425207 90.7531142 90.9912691 91.3861055
91.7311810 92.0288586 92.2126454 92.9258528 93.0198960
93.1173205 93.4474869 94.0694759 94.5672848 94.8470011
94.9662768 95.2758269 95.2868098 96.1704797 96.2187990
96.7372864 97.0187619 97.4703403 97.8091060 98.1097177
98.4980045 98.8055890 99.1800401 99.3042178 99.4111042
99.6989895 100.2278662 100.6886253 101.4964630 101.6552917
102.4389060 102.7346453 103.0887500 103.5696677 103.8290061
104.1105334 104.4029982 105.3587944 105.5022977 106.0036963
106.3236337 106.6057408 106.9060498 107.4847068 108.1048541
108.2599055 108.9000850 108.9859732 109.6051956 110.0801980
110.3259509 111.0055031 111.4783138 111.7231468 113.0216949
113.0881623 113.5200457 114.4202976 115.2942595 115.5797786
116.5334016 116.8332614 117.1255551 117.5121214 117.6440179
118.4557395 119.3112831 120.1208830 121.2591309 121.5261537
121.8992272 122.8062410 123.1207448 125.1374877 125.7954777
126.4200105 126.7913851 127.2573022 128.0711281 128.7954592
130.4914078 130.8456006 132.1456234 134.1803154 134.5680004
134.8943482 135.8818136 136.4684743 136.9263385 137.7879648
139.9940063 140.8230976 142.4689082 143.9679879 145.4526590
147.4605255 149.9470367 152.6487477 152.8361911 161.5402984
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034253 0.0034287 0.0034313 0.0034366 0.0034409
0.0034513 68.2476417 95.6647206 101.5799194 102.7412737
112.8095117 130.4747896 137.2224586 150.9308423 153.1811838
157.3916805 165.8482379 168.7224994 169.3215915 185.2516222
189.6950051 196.4421589 208.5160156 209.8491607 211.7120046
215.2788391 227.2516108 235.0536437 239.3244569 242.9869810
253.9246281 256.3888026 261.0660871 270.9481891 276.8534427
280.4000360 282.5016981 291.3912540 293.5269137 295.8836394
304.7002584 305.7627812 307.7864210 311.9307852 316.4795026
322.7842913 324.8491755 327.6822075 331.0427595 331.8234798
336.9863747 343.0050703 346.7718416 351.1956427 353.5118889
357.5679540 362.8744128 364.4193258 364.9411246 369.0435945
376.8620168 380.1835804 385.2109888 388.9333693 393.4281689
395.6998256 397.8642524 401.6169275 406.4696005 407.5065559
411.1952512 415.6546050 417.9325751 418.2482359 421.6255416
422.3595170 423.7004005 426.9015266 431.3968143 433.2402555
439.7045017 443.3045846 446.8333209 448.4231613 451.0210558
451.3262147 455.3763367 459.3508875 462.7594809 463.7228942
467.1201754 469.5188499 474.9985538 478.1371553 478.6831785
483.3910826 485.9890497 489.6071550 490.9162122 492.5985565
493.8504890 497.1306301 501.7475608 503.9494425 507.0343653
507.5005396 513.0951172 513.7717638 516.4372391 519.8780025
520.5773223 523.1440577 524.7405938 528.3727886 531.5631832
532.8200549 535.0267212 538.5215224 538.9690796 540.9690652
541.3839774 543.9769166 549.3579663 550.5927036 553.0259175
554.8805680 555.2829045 556.7464495 559.2630006 561.3844449
563.5462891 564.4932427 569.0254011 570.6532400 571.7776974
574.6607074 574.8245120 576.8010042 579.4324874 580.0964114
580.2680144 583.2118047 585.8062628 586.9294920 588.9270480
589.4853882 590.5816414 593.1736923 593.7268695 594.3296102
596.6584303 600.1945477 600.5509765 602.1286490 604.2145615
606.9367329 609.0053977 610.1157898 611.8025868 613.7618251
614.5678356 616.4083836 617.4822606 620.0237009 622.2868693
623.1430819 624.7470026 626.6145022 627.0105125 629.2673202
632.0439217 633.0485175 634.9508939 636.8304426 639.8925049
640.7978477 642.4875970 644.2008883 645.2154835 646.3843569
648.0501635 649.1688137 650.5090056 651.5622841 652.9667328
653.8126782 654.7667929 657.1394856 658.4868902 659.7337274
662.6510968 664.3530142 665.7809626 668.8522306 669.6146703
671.0389517 671.7223346 672.8084767 676.4261011 677.0957109
678.2064951 680.6900151 681.4483207 682.9303984 685.0153321
686.8813083 689.7760148 692.3329263 692.5396177 693.9083586
694.9297137 696.0754452 697.1234951 699.0630811 699.7441180
702.4335460 704.1678118 705.7778271 706.4114332 707.2360151
708.6262756 709.2394573 710.0982259 711.3627697 712.6081571
714.4462373 715.4537065 715.4874642 717.2822633 719.1793080
719.9597472 720.6970998 723.5123746 723.8619842 724.5631918
726.1911679 726.8513939 728.1908807 729.3596675 731.1422262
731.8524347 732.2536656 733.9889847 735.6711473 737.4280150
739.1612535 740.2009450 741.5883202 742.8926285 743.5771466
746.6735413 746.8933639 747.6441851 748.6473016 751.2000198
751.7368787 753.5388046 754.2778088 755.1427226 758.6292437
759.7998157 761.6901789 763.8579457 764.4481112 764.6176978
765.7975773 767.4856217 767.9487937 769.6841450 770.9794290
772.2548307 773.1759722 775.0212128 775.3760140 777.2061059
778.7389565 780.1674888 782.1345003 782.4524397 784.7500346
788.1209361 788.4793990 789.5749721 791.0303133 791.8790488
793.1455700 793.9514097 795.3684404 796.6516929 797.4323328
800.0175393 800.6697945 801.6748384 802.3502862 803.8259970
805.7066556 807.2683934 809.8342571 811.3853981 813.2471068
813.7083693 815.6873188 817.4742113 818.5811005 819.2846666
820.7438775 822.3001768 823.7156095 824.6706114 825.6033127
827.3291513 829.3770563 829.6500209 831.7829623 832.2084347
833.8039188 835.2179103 837.2538843 838.8810142 839.7120747
842.3526337 843.1530155 844.7332052 845.8958449 847.0333828
848.6808281 849.5495254 851.5181120 852.0500106 854.2855450
854.6783387 855.4841344 857.6658916 858.3711711 858.6100384
859.2344878 863.1543230 863.7527049 864.7555725 866.6020137
867.6656648 868.8120053 870.7380529 871.3162986 873.3894527
875.2852398 876.1921106 876.9433581 878.9114330 880.9325878
881.8052858 882.9114977 884.8205471 885.8919560 886.4891537
887.7839907 889.1921416 891.2188288 893.0251325 894.9438286
895.5002687 896.1328126 897.1971972 898.3670114 898.5671201
902.2188434 903.2544467 904.6694983 905.3434752 906.6951446
907.7563669 910.5916147 910.8479033 912.0981409 914.0219926
915.0523320 916.1951427 917.5732496 919.4532894 921.6474710
922.1977679 923.8930641 926.2857916 927.2537599 928.6263920
930.4753772 931.6599878 932.9399363 934.5481290 935.9277107
938.3680240 939.3969935 941.1672103 944.1606790 945.3979571
946.3728741 947.4973532 948.1533413 948.9500885 950.5209053
951.6798338 953.1726637 956.7798259 958.1195770 959.9977602
960.4584728 961.7605699 962.9920440 964.0817082 966.5385194
967.2693767 968.5671887 968.7404019 970.6175002 971.8620511
972.8622853 973.9269533 976.0603360 978.7312812 980.1373346
981.9648675 983.3984638 986.1053865 988.1106072 988.3716563
990.7087429 991.5715349 992.2519143 994.8200272 995.7806974
997.8601720 998.5166442 999.5585097 1001.4649325 1002.1835661
1003.6110916 1007.7785798 1008.1796591 1010.9556164 1013.2945422
1013.7523118 1014.4822518 1017.5822363 1018.8867006 1019.7950659
1022.7528672 1023.0364910 1025.1308706 1027.7561545 1030.4955408
1031.1351583 1033.2884402 1034.4894087 1035.8458766 1038.0908551
1040.0489331 1041.7351015 1042.7747843 1046.7996242 1047.3291833
1047.8775002 1049.7335883 1053.2213218 1056.0044304 1057.5650312
1058.2297973 1059.9530860 1060.0141774 1064.9180087 1065.1855007
1068.0515895 1069.6043102 1072.0906823 1073.9521334 1075.6012376
1077.7275782 1079.4090028 1081.4524281 1082.1292291 1082.7114487
1084.2780313 1087.1501308 1089.6461434 1094.0085957 1094.8642511
1099.0760548 1100.6614181 1102.5566601 1105.1254277 1106.5081794
1108.0072854 1109.5624879 1114.6298684 1115.3886972 1118.0359926
1119.7219340 1121.2064218 1122.7845338 1125.8191152 1129.0622258
1129.8716247 1133.2073679 1133.6541535 1136.8701171 1139.3309138
1140.6019767 1144.1093505 1146.5433394 1147.8016904 1154.4528180
1154.7922315 1156.9952047 1161.5738244 1166.0015360 1167.4444085
1172.2506768 1173.7579056 1175.2252434 1177.1630282 1177.8234712
1181.8798666 1186.1402363 1190.1577753 1195.7833605 1197.0992441
1198.9353256 1203.3875094 1204.9274468 1214.7558416 1217.9453302
1220.9649341 1222.7569879 1225.0015448 1228.9123191 1232.3825954
1240.4699227 1242.1522856 1248.3077660 1257.8813685 1259.6972460
1261.2237994 1265.8316421 1268.5612710 1270.6875586 1274.6792700
1284.8428183 1288.6418363 1296.1501912 1302.9514928 1309.6526098
1318.6610212 1329.7323181 1341.6582428 1342.4817275 1380.1799708
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240503180010144827.eigenfacs
Openam> file on opening on unit 10:
240503180010144827.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240503180010144827.atom
Openam> file on opening on unit 11:
240503180010144827.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: 9.9495E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9694E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9845E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0015E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0040E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0101E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3950
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7761
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8750
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8952
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.079
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.597
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.932
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.990
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.101
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.333
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.414
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.910
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.052
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.272
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.687
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.734
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.801
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.930
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.379
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.685
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.857
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.468
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.575
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.780
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.226
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.500
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.668
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.768
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.200
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.306
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.424
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.928
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.251
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.494
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.836
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.106
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.293
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.337
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.630
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.977
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.84
%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 : 0.395000
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= 0.548 for 185 C-alpha atoms.
Bfactors> = 1.713 +/- 2.79
Bfactors> = 27.208 +/- 13.42
Bfactors> Shiftng-fct= 25.495
Bfactors> Scaling-fct= 4.804
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240503180010144827 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=0
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=100
240503180010144827.eigenfacs
240503180010144827.atom
making animated gifs
11 models are in 240503180010144827.7.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 240503180010144827.7.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 240503180010144827.7.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 240503180010144827 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=0
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=100
240503180010144827.eigenfacs
240503180010144827.atom
making animated gifs
11 models are in 240503180010144827.8.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 240503180010144827.8.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 240503180010144827.8.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 240503180010144827 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=0
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=100
240503180010144827.eigenfacs
240503180010144827.atom
making animated gifs
11 models are in 240503180010144827.9.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 240503180010144827.9.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 240503180010144827.9.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 240503180010144827 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=0
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=100
240503180010144827.eigenfacs
240503180010144827.atom
making animated gifs
11 models are in 240503180010144827.10.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 240503180010144827.10.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 240503180010144827.10.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 240503180010144827 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=0
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=100
240503180010144827.eigenfacs
240503180010144827.atom
making animated gifs
11 models are in 240503180010144827.11.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 240503180010144827.11.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 240503180010144827.11.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 240503180010144827 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=0
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=100
240503180010144827.eigenfacs
240503180010144827.atom
making animated gifs
11 models are in 240503180010144827.12.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 240503180010144827.12.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 240503180010144827.12.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 240503180010144827 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=0
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=100
240503180010144827.eigenfacs
240503180010144827.atom
making animated gifs
11 models are in 240503180010144827.13.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 240503180010144827.13.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 240503180010144827.13.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 240503180010144827 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=0
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=100
240503180010144827.eigenfacs
240503180010144827.atom
making animated gifs
11 models are in 240503180010144827.14.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 240503180010144827.14.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 240503180010144827.14.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 240503180010144827 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=0
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=100
240503180010144827.eigenfacs
240503180010144827.atom
making animated gifs
11 models are in 240503180010144827.15.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 240503180010144827.15.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 240503180010144827.15.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 240503180010144827 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=-20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=0
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=20
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=40
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=60
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=80
240503180010144827.eigenfacs
240503180010144827.atom
calculating perturbed structure for DQ=100
240503180010144827.eigenfacs
240503180010144827.atom
making animated gifs
11 models are in 240503180010144827.16.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 240503180010144827.16.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 240503180010144827.16.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
240503180010144827.10.pdb
240503180010144827.11.pdb
240503180010144827.12.pdb
240503180010144827.13.pdb
240503180010144827.14.pdb
240503180010144827.15.pdb
240503180010144827.16.pdb
240503180010144827.7.pdb
240503180010144827.8.pdb
240503180010144827.9.pdb
STDERR:
real 0m2.487s
user 0m2.479s
sys 0m0.008s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 240503180010144827.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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
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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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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