*** ***
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 = 2404111533293689508.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 2404111533293689508.atom to be opened.
Openam> File opened: 2404111533293689508.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 = 198
First residue number = 94
Last residue number = 291
Number of atoms found = 198
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 18.002773 +/- 10.420963 From: -1.800000 To: 45.222000
= 1.583364 +/- 9.461896 From: -20.438000 To: 20.834000
= 8.258162 +/- 8.169307 From: -11.544000 To: 29.163000
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 9.3150 % Filled.
Pdbmat> 16461 non-zero elements.
Pdbmat> 1697 atom-atom interactions.
Pdbmat> Number per atom= 17.14 +/- 5.31
Maximum number = 30
Minimum number = 5
Pdbmat> Matrix trace = 33940.0
Pdbmat> Larger element = 114.476
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 198 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 594
Diagstd> Number of non-zero elements 16461
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 33940.0000006
%Diagstd-Wn: Nb on non-zero elements there: 594
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 594 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 33940.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1148887 0.3717882 0.6512631 0.8021103
0.8372701 0.9762910 1.2835376 1.5809648 1.6696225
1.8877046 2.0512035 2.1003259 2.3828921 2.5875887
2.7360124 2.8103721 3.1033600 3.1305082 3.3581165
3.6500785 3.8807956 4.0991425 4.2375537 4.4369349
4.6381250 4.8242649 5.1273480 5.3765247 5.6269618
5.8056720 5.9791937 6.2948937 6.5690768 6.9094810
7.1142142 7.1725396 7.2833894 7.6515562 7.6818865
8.0532666 8.2367985 8.4221251 8.6289560 8.6923026
8.9138718 9.0794935 9.3693438 9.6390252 9.6636953
9.8876961 10.1373876 10.3003733 10.5668349 10.7630052
10.9681054 11.1967285 11.4636336 11.7282283 11.7755635
11.9716866 12.1738092 12.4708875 12.5630271 13.3213207
13.4703296 13.6156608 13.8142831 13.8720521 14.3376601
14.6125623 14.6860264 14.8320655 15.0257305 15.2709292
15.4305030 15.6446960 15.9015215 16.0363744 16.1762183
16.3822621 16.7464433 16.8406031 16.8984680 17.1146219
17.3794508 17.6383242 17.7572722 18.1225505 18.1571300
18.5332254 18.7298817 19.0010969 19.0532972 19.2212384
19.3191251 19.4004868 19.8883693 19.9077609 20.3579812
20.5539073 20.6193810 20.8323154 20.9476802 21.1201597
21.3486727 21.4535495 21.6440177 21.9063079 21.9529509
22.1776501 22.3510104 22.6536838 22.8624419 23.1033981
23.2208592 23.4176352 23.5867082 23.7359632 23.8730877
24.1917490 24.4036493 24.5013006 24.6442438 24.9337631
25.2619758 25.3760740 25.5652333 25.8947955 25.9180258
26.1400479 26.2467782 26.4277130 26.7014163 26.8595718
26.9336787 27.1629273 27.2305618 27.3760428 27.7149286
27.7834797 28.0598647 28.1604728 28.2853164 28.4436437
28.5772909 28.9625995 29.0255504 29.1486834 29.4226445
29.7469512 29.8495715 30.1291058 30.1849416 30.3276196
30.3817959 30.6774536 30.8396032 31.0622776 31.1349819
31.4130057 31.5605084 31.6344863 31.8506527 32.0341302
32.0728415 32.3535359 32.4927361 32.6927845 32.8661959
32.9338298 33.0868448 33.2110947 33.3972768 33.4641961
33.6405942 33.7925052 34.0054779 34.0840556 34.2816236
34.4530089 34.5695430 34.6318842 34.7749759 34.7999862
35.1176111 35.3970106 35.4415559 35.6972468 35.7611685
36.1113004 36.3470754 36.4808318 36.5978784 36.6481634
36.8525828 37.0178568 37.2161080 37.3621487 37.4620059
37.6232651 37.8488821 37.8997457 38.1781930 38.2951573
38.3918999 38.6174768 38.7798874 39.1163665 39.1680503
39.2183817 39.4929364 39.6092424 39.8201614 40.0315044
40.0797087 40.3210836 40.4375103 40.5664284 40.8275183
40.9529545 41.1131435 41.2237825 41.2475293 41.5603935
41.6900349 41.8938805 41.9684026 42.1495181 42.2753805
42.4797602 42.5580719 42.6799288 42.8516566 43.0735691
43.1855671 43.3111234 43.4626703 43.6191668 43.9240029
44.0931680 44.2101799 44.4334295 44.4978871 44.7562990
44.8225213 45.0528683 45.1052639 45.2374039 45.3019934
45.5626838 45.7063066 45.9225760 45.9889298 46.1032678
46.4598915 46.5605498 46.7389496 46.9705291 47.1809812
47.3207013 47.3673974 47.5606634 47.8171033 47.8861635
48.1189099 48.2284418 48.4731863 48.5300135 48.7070848
48.9346180 49.0182683 49.2228951 49.3504255 49.4957472
49.6913839 49.7446428 49.8288445 50.1884962 50.4069467
50.5337886 50.7210741 50.7885174 51.1545629 51.4110476
51.5992155 51.7570445 51.8651669 52.1228877 52.2051819
52.4392506 52.5038644 52.7056497 52.9478363 53.1559226
53.4190972 53.5942614 53.7450128 53.8388603 53.8633267
54.0504781 54.3935897 54.5082513 54.7680279 55.1468290
55.3625203 55.5126345 55.6397110 55.8167757 55.8790985
56.1302629 56.2064378 56.4179446 56.8087236 56.9193209
56.9962804 57.1981011 57.3746279 57.5192370 57.7237018
57.9535289 58.0601940 58.3018929 58.5464071 58.5891038
58.8012925 58.9419291 59.1239428 59.4222302 59.6012615
59.7218107 59.8760876 59.9809436 60.0643532 60.1487369
60.3915353 60.7203227 60.8875936 60.9989970 61.3372403
61.4494801 61.7285781 61.8807090 62.1394474 62.2998437
62.5042846 62.6541116 62.6842512 62.8871223 63.2702689
63.3903974 63.4470707 63.7388545 63.8418023 64.0618227
64.3020585 64.4653042 64.5667871 64.8718157 65.0724600
65.2808385 65.4457404 65.4982032 65.7772104 65.8214634
66.1364467 66.3831170 66.5391515 66.8167199 66.8769017
66.9887080 67.1361359 67.3859608 67.6576016 67.7727512
68.0715811 68.3165264 68.7462169 68.8159722 68.9994673
69.2291245 69.3727364 69.6363894 69.7766821 69.9694140
70.4190083 70.4579217 70.7377607 70.7984931 70.9956706
71.1196860 71.2867830 71.6409408 71.7072307 71.8444042
72.0852057 72.2837786 72.6373164 73.1389611 73.1881676
73.2319764 73.7423014 73.8295089 74.1658952 74.4339910
74.7038768 75.3185918 75.4424044 75.5458996 75.9506506
76.0980492 76.2872330 76.3364040 76.7552835 76.8966548
76.9690886 77.1050973 77.4283157 77.5281351 77.7873157
77.8645174 78.1325925 78.1687243 78.3708203 78.6190315
78.8043882 79.0174165 79.1918240 79.6227802 79.9137282
80.0131855 80.3669030 80.4624035 80.8628844 81.0146285
81.0842369 81.2533953 81.4140216 81.5838431 81.8709909
82.0438758 82.6265448 82.7396483 82.8561639 83.2169259
83.3627943 83.8033694 83.8769557 84.1594954 84.4033999
84.8230597 84.9382487 85.3193150 85.3961901 85.5825932
85.6784719 85.9942282 86.1962889 86.3184320 87.0343306
87.1827495 87.3328561 87.4714617 87.8799993 87.9417724
88.0885381 88.2516789 88.4415644 88.7186911 89.3928358
89.4207685 89.6676933 89.8335287 89.9423496 90.2827068
90.5426842 90.8646073 90.9436689 91.1989819 91.8895117
92.0781916 92.2590315 92.5983276 92.9333471 93.2825924
93.5720507 94.0286458 94.0929488 94.6281205 95.0108720
95.2731477 95.5687042 95.8123657 95.9987168 96.4512888
96.5377585 97.3870009 97.6088386 98.0477918 98.3538450
98.5317756 98.8230137 99.0555459 99.5065758 99.8996244
100.5658830 100.7591828 100.8464729 101.1719045 101.3397424
101.6848582 102.4880614 102.8046843 103.3196800 103.6983192
103.8766543 103.9827564 104.5242659 104.6044156 105.2902111
105.9743285 106.4373153 106.6401145 107.1208094 107.4910210
107.7522010 108.0652754 108.4426604 108.7612515 108.8597081
109.1160409 110.1022048 110.2428638 110.4381126 110.8883671
111.4185429 111.7157718 112.2064625 112.8920393 113.8589847
114.1908322 114.3607701 114.9351191 115.3599556 116.1554596
116.3051971 116.5873766 117.1167827 117.4827146 118.1385095
118.5355420 118.6839058 119.4222976 120.2170091 121.1614299
121.6393498 122.4749054 122.7234583 124.2332799 125.1733587
125.2433276 125.8772572 126.5086341 126.9107844 127.5900522
128.0113293 128.5201187 130.4520344 131.2298362 132.3751378
133.3233424 134.1752923 134.6286749 135.5472403 136.8449078
137.3750585 137.8832568 138.8978764 140.0457432 141.0629582
142.5747733 143.8892524 146.5291171 148.9412645 151.3824340
152.6085909 155.8615489 161.5037672 162.7190979
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034208 0.0034240 0.0034295 0.0034330 0.0034380
0.0034465 36.8072935 66.2129725 87.6341792 97.2550841
99.3637753 107.2963419 123.0267581 136.5388936 140.3151050
149.1977591 155.5248008 157.3760443 167.6283488 174.6798858
179.6198434 182.0443448 191.2984084 192.1333261 198.9954561
207.4657353 213.9221044 219.8577551 223.5387850 228.7372032
233.8656861 238.5123406 245.8904594 251.7944213 257.5919363
261.6504745 265.5318322 272.4516742 278.3219451 285.4420775
289.6401410 290.8250145 293.0637107 300.3794138 300.9741689
308.1635849 311.6552888 315.1418827 318.9880447 320.1567766
324.2115422 327.2096416 332.3914676 337.1412082 337.5723715
341.4623582 345.7469093 348.5152308 352.9943397 356.2558915
359.6342857 363.3631260 367.6685050 371.8874192 372.6371321
375.7274716 378.8859713 383.4810972 384.8951410 396.3409282
398.5514479 400.6956632 403.6077118 404.4507419 411.1823089
415.1054810 416.1476366 418.2116225 420.9331003 424.3537183
426.5651024 429.5155040 433.0266459 434.8589103 436.7508714
439.5236164 444.3821159 445.6296727 446.3946152 449.2405341
452.7029293 456.0620554 457.5972509 462.2798246 462.7206508
467.4883414 469.9620587 473.3524365 474.0021932 476.0866056
477.2973330 478.3013360 484.2781424 484.5141765 489.9622657
492.3143302 493.0978309 495.6373786 497.0078489 499.0497928
501.7423046 502.9732160 505.2010224 508.2529103 508.7937098
511.3909573 513.3858104 516.8502102 519.2261863 521.9551787
523.2803459 525.4928350 527.3864263 529.0524256 530.5784142
534.1077921 536.4418703 537.5140861 539.0797624 542.2370574
545.7942274 547.0254052 549.0604485 552.5880937 552.8359018
555.1987370 556.3310266 558.2452947 561.1286322 562.7879924
563.5638379 565.9571695 566.6613357 568.1730317 571.6788983
572.3854682 575.2254155 576.2557227 577.5316651 579.1457790
580.5047903 584.4051708 585.0399353 586.2795583 589.0282609
592.2656032 593.2863147 596.0578360 596.6098930 598.0182566
598.5521583 601.4574858 603.0449303 605.2181290 605.9260012
608.6253353 610.0525907 610.7671541 612.8503645 614.6130089
614.9842581 617.6694989 618.9968260 620.8993940 622.5439254
623.1841497 624.6301706 625.8018979 627.5535751 628.1819868
629.8354624 631.2559363 633.2420141 633.9732197 635.8079759
637.3953025 638.4723580 639.0477951 640.3666401 640.5968752
643.5136493 646.0685098 646.4749034 648.8026892 649.3833227
652.5545832 654.6814207 655.8849206 656.9362622 657.3874186
659.2182860 660.6948408 662.4616732 663.7601921 664.6466099
666.0755955 668.0697522 668.5184974 670.9697872 671.9968068
672.8450821 674.8188839 676.2364130 679.1638066 679.6123420
680.0488571 682.4251020 683.4292279 685.2464407 687.0624850
687.4760272 689.5430374 690.5378444 691.6377135 693.8598712
694.9249423 696.2827278 697.2189767 697.4197632 700.0597450
701.1507604 702.8628269 703.4876865 705.0040097 706.0558289
707.7604794 708.4125597 709.4260362 710.8518344 712.6900736
713.6160247 714.6526439 715.9018475 717.1895669 719.6912720
721.0758187 722.0319592 723.8526983 724.3775385 726.4778265
727.0150834 728.8807877 729.3045014 730.3720026 730.8932257
732.9931721 734.1475341 735.8823749 736.4138229 737.3286930
740.1749382 740.9763218 742.3945142 744.2314289 745.8968354
747.0004552 747.3689347 748.8920701 750.9083126 751.4503694
753.2743341 754.1311769 756.0422476 756.4852879 757.8641238
759.6322276 760.2812190 761.8664641 762.8527759 763.9751327
765.4834865 765.8935965 766.5415283 769.3029042 770.9753200
771.9447359 773.3738817 773.8878850 776.6716793 778.6163285
780.0399210 781.2319832 782.0475683 783.9881794 784.6068348
786.3638106 786.8481262 788.3587024 790.1679110 791.7190783
793.6765563 794.9767461 796.0940271 796.7887790 796.9698031
798.3531631 800.8831213 801.7268067 803.6349795 806.4093467
807.9848292 809.0795042 810.0050250 811.2928585 811.7456609
813.5679252 814.1197884 815.6501312 818.4700576 819.2663840
819.8200535 821.2702398 822.5365801 823.5725034 825.0349897
826.6757981 827.4362083 829.1566876 830.8935817 831.1965039
832.7002910 833.6954918 834.9817325 837.0853744 838.3454400
839.1928281 840.2760552 841.0114857 841.5960384 842.1870051
843.8850939 846.1791417 847.3438572 848.1186771 850.4668624
851.2446329 853.1755809 854.2262656 856.0102670 857.1143351
858.5195211 859.5478702 859.7545866 861.1447165 863.7640415
864.5836480 864.9700460 866.9567004 867.6565503 869.1503832
870.7785418 871.8831775 872.5691781 874.6278604 875.9793993
877.3808322 878.4882823 878.8403199 880.7101585 881.0063669
883.1118433 884.7571900 885.7963973 887.6420264 888.0416856
888.7836996 889.7611746 891.4151126 893.2100060 893.9697802
895.9384998 897.5490020 900.3672351 900.8239106 902.0241168
903.5240145 904.4606833 906.1777675 907.0901222 908.3420062
911.2556470 911.5073909 913.3157223 913.7077053 914.9791827
915.7779777 916.8531649 919.1278390 919.5529787 920.4320955
921.9733148 923.2423205 925.4973419 928.6876580 929.0000071
929.2780049 932.5102711 933.0615001 935.1847188 936.8734531
938.5703930 942.4240838 943.1983685 943.8451070 946.3701414
947.2880138 948.4647871 948.7704049 951.3699295 952.2456645
952.6940490 953.5354089 955.5318914 956.1476213 957.7445134
958.2196629 959.8677441 960.0896602 961.3299578 962.8510873
963.9854552 965.2875245 966.3522303 968.9780725 970.7468197
971.3507076 973.4953840 974.0736178 976.4947096 977.4105057
977.8303149 978.8497609 979.8168060 980.8381735 982.5627683
983.5996478 987.0861909 987.7615474 988.4567956 990.6063660
991.4741875 994.0907218 994.5270731 996.2006982 997.6432095
1000.1203110 1000.7991583 1003.0416347 1003.4934172 1004.5880349
1005.1506005 1007.0010692 1008.1834507 1008.8975135 1013.0726176
1013.9360420 1014.8085367 1015.6135166 1017.9824778 1018.3401976
1019.1895955 1020.1329334 1021.2298214 1022.8285530 1026.7072711
1026.8676668 1028.2844754 1029.2349139 1029.8581132 1031.8048525
1033.2893731 1035.1246656 1035.5749000 1037.0275050 1040.9461233
1042.0142803 1043.0370270 1044.9532279 1046.8418345 1048.8070154
1050.4329927 1052.9927257 1053.3527170 1056.3440425 1058.4782353
1059.9381826 1061.5809804 1062.9334199 1063.9665984 1066.4716074
1066.9495526 1071.6322531 1072.8520936 1075.2617296 1076.9386206
1077.9123179 1079.5041772 1080.7734767 1083.2312267 1085.3684872
1088.9817857 1090.0278610 1090.4999174 1092.2580219 1093.1636405
1095.0234606 1099.3397194 1101.0365403 1103.7908930 1105.8115937
1106.7620443 1107.3271366 1110.2066983 1110.6322724 1114.2670249
1117.8811088 1120.3203792 1121.3871666 1123.9117281 1125.8521830
1127.2191424 1128.8555243 1130.8248980 1132.4847914 1132.9972690
1134.3304232 1139.4447932 1140.1723989 1141.1816198 1143.5055436
1146.2359296 1147.7638060 1150.2817135 1153.7904488 1158.7211489
1160.4084945 1161.2716287 1164.1840780 1166.3336896 1170.3482069
1171.1023192 1172.5221218 1175.1812321 1177.0157297 1180.2962409
1182.2779102 1183.0175719 1186.6919367 1190.6338892 1195.3015295
1197.6566363 1201.7630214 1202.9818441 1210.3591449 1214.9299356
1215.2694461 1218.3411586 1221.3928227 1223.3325866 1226.6020546
1228.6253842 1231.0645891 1240.2827640 1243.9747742 1249.3913444
1253.8580619 1257.8578235 1259.9812020 1264.2722929 1270.3096609
1272.7679349 1275.1199681 1279.8028801 1285.0802128 1289.7388256
1296.6316704 1302.5951544 1314.4898794 1325.2652138 1336.0817199
1341.4817583 1355.7036775 1380.0239031 1385.2065747
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404111533293689508.eigenfacs
Openam> file on opening on unit 10:
2404111533293689508.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404111533293689508.atom
Openam> file on opening on unit 11:
2404111533293689508.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 = 198
First residue number = 94
Last residue number = 291
Number of atoms found = 198
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9232E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9421E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9739E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9944E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0024E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0073E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1149
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6513
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8021
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8373
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9763
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.284
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.581
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.670
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.051
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.100
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.383
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.588
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.736
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.810
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.131
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.358
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.650
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 3.881
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.099
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.238
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.437
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.638
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.824
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.127
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.377
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.627
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 5.806
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 5.979
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.295
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.569
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.909
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.114
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.173
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.283
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.652
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.682
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.053
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.237
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.629
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 8.692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 8.914
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.079
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.369
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 9.639
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 9.664
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 9.888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 10.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 10.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 10.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 10.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 11.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 11.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 11.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 11.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 12.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 12.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 12.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 13.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 13.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 13.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 13.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 14.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 14.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 15.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 15.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 15.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 16.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 16.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 16.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 16.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 17.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 17.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 17.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 17.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 18.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 18.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 18.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 19.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 19.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 19.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 19.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 19.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 20.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 20.55
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 594 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.114900
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= 0.243 for 198 C-alpha atoms.
Bfactors> = 2.405 +/- 9.92
Bfactors> = 27.085 +/- 13.37
Bfactors> Shiftng-fct= 24.680
Bfactors> Scaling-fct= 1.347
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404111533293689508 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=0
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=100
2404111533293689508.eigenfacs
2404111533293689508.atom
making animated gifs
11 models are in 2404111533293689508.7.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 2404111533293689508.7.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 2404111533293689508.7.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 2404111533293689508 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=0
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=100
2404111533293689508.eigenfacs
2404111533293689508.atom
making animated gifs
11 models are in 2404111533293689508.8.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 2404111533293689508.8.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 2404111533293689508.8.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 2404111533293689508 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=0
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=100
2404111533293689508.eigenfacs
2404111533293689508.atom
making animated gifs
11 models are in 2404111533293689508.9.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 2404111533293689508.9.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 2404111533293689508.9.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 2404111533293689508 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=0
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=100
2404111533293689508.eigenfacs
2404111533293689508.atom
making animated gifs
11 models are in 2404111533293689508.10.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 2404111533293689508.10.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 2404111533293689508.10.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 2404111533293689508 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=0
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=100
2404111533293689508.eigenfacs
2404111533293689508.atom
making animated gifs
11 models are in 2404111533293689508.11.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 2404111533293689508.11.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 2404111533293689508.11.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 2404111533293689508 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=0
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=100
2404111533293689508.eigenfacs
2404111533293689508.atom
making animated gifs
11 models are in 2404111533293689508.12.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 2404111533293689508.12.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 2404111533293689508.12.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 2404111533293689508 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=0
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=100
2404111533293689508.eigenfacs
2404111533293689508.atom
making animated gifs
11 models are in 2404111533293689508.13.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 2404111533293689508.13.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 2404111533293689508.13.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 2404111533293689508 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=0
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=100
2404111533293689508.eigenfacs
2404111533293689508.atom
making animated gifs
11 models are in 2404111533293689508.14.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 2404111533293689508.14.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 2404111533293689508.14.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 2404111533293689508 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=0
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=100
2404111533293689508.eigenfacs
2404111533293689508.atom
making animated gifs
11 models are in 2404111533293689508.15.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 2404111533293689508.15.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 2404111533293689508.15.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 2404111533293689508 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=-20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=0
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=20
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=40
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=60
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=80
2404111533293689508.eigenfacs
2404111533293689508.atom
calculating perturbed structure for DQ=100
2404111533293689508.eigenfacs
2404111533293689508.atom
making animated gifs
11 models are in 2404111533293689508.16.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 2404111533293689508.16.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 2404111533293689508.16.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
2404111533293689508.10.pdb
2404111533293689508.11.pdb
2404111533293689508.12.pdb
2404111533293689508.13.pdb
2404111533293689508.14.pdb
2404111533293689508.15.pdb
2404111533293689508.16.pdb
2404111533293689508.7.pdb
2404111533293689508.8.pdb
2404111533293689508.9.pdb
STDERR:
real 0m3.115s
user 0m3.111s
sys 0m0.004s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404111533293689508.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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