*** ***
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 = 2404111543003695203.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 2404111543003695203.atom to be opened.
Openam> File opened: 2404111543003695203.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:
= 18.002869 +/- 10.420977 From: -1.800000 To: 45.222000
= 1.583551 +/- 9.461881 From: -20.438000 To: 20.834000
= 8.258303 +/- 8.169422 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 9.3201 % Filled.
Pdbmat> 16470 non-zero elements.
Pdbmat> 1698 atom-atom interactions.
Pdbmat> Number per atom= 17.15 +/- 5.31
Maximum number = 30
Minimum number = 5
Pdbmat> Matrix trace = 33960.0
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 16470
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 33960.0000006
%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 = 33960.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1148888 0.3718047 0.6512561 0.8020825
0.8375699 0.9763526 1.2835080 1.5815139 1.6696118
1.8881610 2.0512567 2.1013163 2.3836467 2.5880568
2.7363979 2.8107501 3.1033957 3.1320903 3.3629925
3.6693150 3.8940741 4.1001116 4.2399877 4.4396813
4.6402783 4.8329718 5.1269829 5.3789113 5.6282593
5.8048238 5.9820067 6.2957785 6.5714311 6.9094116
7.1210892 7.1753829 7.2953631 7.6539558 7.6946900
8.0574371 8.2429242 8.4231075 8.6316392 8.7014624
8.9430489 9.0810302 9.3705923 9.6429214 9.6855275
9.8879330 10.1408144 10.3034940 10.5683102 10.7647618
10.9794213 11.2138107 11.4641208 11.7388991 11.8085547
11.9719648 12.1849155 12.4760786 12.5824812 13.3491527
13.4750750 13.6170607 13.8134154 13.8761985 14.4050044
14.6128261 14.6868964 14.8322819 15.0277525 15.2714056
15.4309840 15.6455248 15.9021067 16.0374527 16.1744626
16.3983207 16.7457003 16.8391789 16.9104007 17.1145763
17.3798464 17.6513933 17.7646360 18.1231043 18.1585288
18.5359029 18.7289860 18.9988825 19.0595520 19.2227031
19.3359603 19.4172008 19.8978792 19.9246131 20.3597915
20.5572668 20.6335862 20.8346737 20.9544941 21.1515298
21.3669445 21.4518979 21.6596542 21.9158108 21.9702284
22.1804827 22.3661293 22.6827933 22.8913704 23.1068455
23.2272541 23.4168001 23.5953867 23.7389370 23.8781803
24.1912515 24.4379432 24.5103120 24.6535020 24.9359726
25.2655600 25.3754901 25.5664454 25.8995016 25.9289132
26.1798489 26.2775321 26.4368674 26.7015820 26.8630914
26.9360371 27.1659429 27.2510454 27.3778365 27.7192518
27.8166130 28.0833567 28.1676194 28.2843377 28.4535513
28.5883794 28.9690865 29.0273937 29.1504276 29.4345840
29.7507742 29.8560526 30.1297311 30.1962091 30.3381502
30.4171631 30.6815217 30.8540567 31.0677477 31.1367274
31.4509082 31.6128367 31.6553405 31.8853648 32.0472453
32.0738698 32.3775063 32.5113310 32.6957513 32.8997168
32.9433159 33.1013010 33.2353878 33.3990435 33.4755861
33.6472004 33.7977238 34.0125271 34.1099149 34.2899826
34.4688246 34.5910065 34.6356771 34.7905240 34.9118590
35.1202329 35.3997133 35.4448147 35.7031365 35.7634806
36.1145279 36.3498079 36.4888151 36.6186121 36.6543151
36.8737517 37.0228655 37.2169887 37.3647571 37.4875754
37.6296450 37.8894082 37.9602681 38.1930495 38.2962782
38.4013562 38.6180417 38.7792932 39.1196826 39.1781903
39.2318805 39.5051833 39.6135146 39.8229185 40.0326708
40.1043176 40.3573414 40.4348520 40.5780173 40.8322117
40.9663508 41.1171706 41.2295555 41.2616426 41.5651107
41.7110309 41.8960755 41.9696360 42.1617893 42.2760399
42.4877189 42.5631481 42.6832065 42.9556386 43.0940560
43.1877315 43.3131420 43.4769886 43.6403176 43.9262410
44.0978106 44.2172661 44.4352158 44.5042639 44.7587475
44.8412349 45.0692340 45.1921247 45.2430013 45.3062167
45.6003018 45.7132251 45.9233714 46.0370532 46.1502414
46.4659490 46.6477320 46.7394806 46.9741632 47.2033397
47.3225317 47.3743402 47.5687556 47.8192048 47.8910396
48.1725234 48.2296128 48.5268475 48.6405077 48.7222742
48.9291177 49.0501372 49.2282868 49.3561868 49.5061624
49.6941722 49.7477778 49.8429428 50.2024396 50.4093947
50.5350826 50.7261885 50.7911841 51.1574576 51.4140027
51.6184841 51.7615395 51.8759351 52.1317743 52.2142098
52.4451716 52.5034730 52.7070454 52.9562661 53.1669738
53.4121887 53.6042805 53.7588484 53.8586254 53.8722178
54.0567327 54.4033678 54.5094093 54.7691440 55.1473946
55.3610435 55.5189253 55.6398869 55.8359063 55.9590698
56.1504823 56.2510870 56.4201923 56.8690335 56.9351856
57.0044621 57.1971736 57.3760630 57.5304665 57.7414281
57.9600310 58.0624764 58.3051916 58.5548289 58.5990245
58.8033285 58.9425599 59.2146473 59.4816059 59.6062690
59.7292673 59.9056037 59.9784889 60.0689039 60.1557306
60.4018324 60.7622520 60.8872826 61.0076525 61.3358221
61.4573955 61.7578429 61.9283213 62.2412347 62.3079557
62.5133687 62.6549221 62.8409663 62.8882882 63.2761212
63.4414443 63.4883443 63.7526441 63.8447198 64.1002359
64.3004223 64.4719922 64.5895928 64.8798942 65.1251173
65.2930919 65.4999202 65.7198048 65.7946303 66.1212158
66.2382046 66.3953510 66.7298963 66.8784507 66.9390409
67.0951696 67.3510112 67.6448819 67.7668678 67.9867522
68.3159149 68.5845021 68.7684253 68.9127246 69.0952260
69.2315144 69.4020163 69.6600682 69.7862022 69.9877991
70.4217963 70.4700987 70.7483214 70.8791848 71.0815913
71.2458040 71.5446487 71.7092700 71.7272829 71.9869922
72.1589916 72.6322307 72.7951199 73.1508169 73.2231421
73.5910022 73.7788632 73.9874426 74.2667579 74.6716991
74.8434058 75.3813034 75.5092482 75.5845883 75.9521174
76.1033097 76.2864062 76.3435771 76.7946709 76.8970595
76.9699997 77.1083641 77.4308401 77.5280327 77.7861293
77.8760223 78.1331435 78.1709838 78.3727334 78.6172391
78.8452269 79.0465355 79.1984213 79.6304695 79.9397136
80.0331912 80.3860014 80.4830620 80.8619281 81.0532487
81.1711664 81.2560535 81.5055882 81.6019531 81.8838797
82.0976816 82.6712640 82.8574148 82.8831700 83.2231510
83.3838612 83.8015736 83.9919774 84.1794125 84.4093163
84.8270667 84.9598868 85.3189698 85.3965669 85.6694397
85.7409845 86.0817228 86.3089262 86.3885986 87.0744296
87.1946375 87.3368039 87.5145231 87.9330658 88.0492055
88.1483033 88.2550404 88.6834239 89.0253128 89.4138468
89.5263807 89.7557707 89.8801094 90.2482268 90.2968950
90.7625949 90.9399939 91.1958279 91.3499579 91.8941044
92.1380044 92.2896890 92.6055000 92.9422850 93.3671458
93.5717595 94.0376873 94.1299448 94.6763192 95.1144914
95.3996361 95.6115117 95.8213257 96.0592060 96.4464555
96.5746198 97.4223418 97.6094370 98.0384847 98.3525319
98.5277942 98.9356356 99.0641187 99.5101384 99.9677286
100.5515362 100.7580248 100.9313074 101.1988130 101.4096583
101.6915766 102.4818684 102.8267530 103.5134580 103.7380339
103.9024296 104.0092860 104.5911340 104.6146736 105.6206278
106.0066990 106.5556633 106.8300892 107.1563301 107.4901681
107.7549666 108.0912977 108.4508220 108.8340563 108.9503373
109.1838877 110.1264306 110.2462534 110.6080492 110.9182118
111.4228465 111.7561476 112.4432152 112.9762986 113.9195525
114.2325022 114.4548770 114.9518935 115.4085304 116.1808856
116.3129022 116.7791810 117.1335980 117.4746343 118.1510404
118.5332903 118.7550537 119.5116398 120.2145119 121.2109275
121.6784444 122.5228065 122.8138164 124.5272540 125.2399588
125.3164583 126.2819738 126.7832754 127.0816305 127.6497067
128.0960855 128.5467714 130.4969121 131.2423867 132.4753182
133.3212800 134.5413150 135.0078458 135.5596859 136.8810560
137.3753326 137.8756416 138.9978525 140.0466783 141.1353550
142.5744541 143.9601782 146.5934417 148.9479195 151.3877689
152.6208069 155.8572383 161.6246613 162.7161885
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034193 0.0034288 0.0034303 0.0034369 0.0034431
0.0034619 36.8073137 66.2144383 87.6337090 97.2534023
99.3815621 107.2997272 123.0253388 136.5626025 140.3146545
149.2157950 155.5268164 157.4131459 167.6548894 174.6956862
179.6324957 182.0565863 191.2995098 192.1818717 199.1398735
208.0117078 214.2877700 219.8837420 223.6029752 228.8079869
233.9199676 238.7274783 245.8817032 251.8502994 257.6216335
261.6313611 265.5942868 272.4708210 278.3718137 285.4406447
289.7800566 290.8826527 293.3045059 300.4265124 301.2248837
308.2433694 311.7711559 315.1602615 319.0376360 320.3254196
324.7417175 327.2373306 332.4136131 337.2093388 337.9534776
341.4664483 345.8053409 348.5680220 353.0189807 356.2849619
359.8197565 363.6402027 367.6763167 372.0565593 373.1587704
375.7318374 379.0587639 383.5609018 385.1930353 396.7547457
398.6216445 400.7162623 403.5950358 404.5111833 412.1468427
415.1092278 416.1599632 418.2146731 420.9614212 424.3603381
426.5717503 429.5268801 433.0346137 434.8735312 436.7271689
439.7389839 444.3722573 445.6108284 446.5521964 449.2399360
452.7080809 456.2309838 457.6921210 462.2868877 462.7384743
467.5221091 469.9508206 473.3248535 474.0799889 476.1047440
477.5052527 478.5073265 484.3939108 484.7192073 489.9840506
492.3545617 493.2676548 495.6654323 497.0886770 499.4202777
501.9569720 502.9538543 505.3834774 508.3631373 508.9938870
511.4236136 513.5594156 517.1821740 519.5545784 521.9941197
523.3523943 525.4834647 527.4834400 529.0855662 530.6350022
534.1023005 536.8186627 537.6129240 539.1810122 542.2610824
545.8329446 547.0191111 549.0734647 552.6383043 552.9520052
555.6212508 556.6568631 558.3419725 561.1303727 562.8248644
563.5885107 565.9885847 566.8744255 568.1916451 571.7234845
572.7266668 575.4661572 576.3288395 577.5216729 579.2466352
580.6174025 584.4706144 585.0585114 586.2970990 589.1477613
592.3036603 593.3507201 596.0640207 596.7212338 598.1220720
598.9004417 601.4973638 603.1862279 605.2714165 605.9429857
608.9924040 610.5581244 610.9684371 613.1842271 614.7388107
614.9941171 617.8982689 619.1739199 620.9275663 622.8613177
623.2738929 624.7666115 626.0307351 627.5701739 628.2888825
629.8973010 631.3046766 633.3076449 634.2136697 635.8854868
637.5415842 638.6705338 639.0827887 640.5097801 641.6257246
643.5376700 646.0931739 646.5046238 648.8562103 649.4043145
652.5837443 654.7060288 655.9566822 657.1223217 657.4425898
659.4075933 660.7395369 662.4695111 663.7833609 664.8733969
666.1320675 668.4273187 669.0520656 671.1003239 672.0066408
672.9279414 674.8238201 676.2312318 679.1925936 679.7003072
680.1658817 682.5309045 683.4660843 685.2701633 687.0724946
687.6870498 689.8529960 690.5151463 691.7364993 693.8997527
695.0385927 696.3168284 697.2677949 697.5390684 700.0994738
701.3272957 702.8812402 703.4980231 705.1066281 706.0613353
707.8267771 708.4548070 709.4532769 711.7137731 712.8595399
713.6339073 714.6692974 716.0197605 717.3634275 719.7096074
721.1137795 722.0898228 723.8672480 724.4294403 726.4976980
727.1668339 729.0131606 730.0063876 730.4171867 730.9272937
733.2957011 734.2030960 735.8887476 736.7990188 737.7042215
740.2231890 741.6697175 742.3987315 744.2602191 746.0735499
747.0149026 747.4237050 748.9557778 750.9248133 751.4886271
753.6938619 754.1403323 756.4606117 757.3459896 757.9822854
759.5895345 760.5283248 761.9081890 762.8973039 764.0555091
765.5049627 765.9177300 766.6499614 769.4097610 770.9940415
771.9546195 773.4128725 773.9082015 776.6936539 778.6387056
780.1855517 781.2659063 782.1287482 784.0550086 784.6746734
786.4082041 786.8451936 788.3691403 790.2308102 791.8013738
793.6252327 795.0510504 796.1964899 796.9350218 797.0355775
798.3993530 800.9551036 801.7353230 803.6431677 806.4134824
807.9740529 809.1253457 810.0063051 811.4318772 812.3263179
813.7144454 814.4430841 815.6663787 818.9043989 819.3805497
819.8788934 821.2635812 822.5468673 823.6528925 825.1616601
826.7221710 827.4524720 829.1801441 830.9533408 831.2668723
832.7147068 833.6999530 835.6219771 837.5034849 838.3806561
839.2452154 840.4831377 840.9942767 841.6279192 842.2359659
843.9570343 846.4712480 847.3416934 848.1788470 850.4570300
851.2994564 853.3777970 854.5548319 856.7110722 857.1701359
858.5819053 859.5534297 860.8286397 861.1526989 863.8039885
864.9316931 865.2513408 867.0504760 867.6763757 869.4109268
870.7674629 871.9284035 872.7232648 874.6823169 876.3337533
877.4631718 878.8518385 880.3257651 880.8267710 883.0101494
883.7909631 884.8387137 887.0651252 888.0519705 888.4541554
889.4896682 891.1839172 893.1260397 893.9309769 895.3800788
897.5449851 899.3076245 900.5126545 901.4569489 902.6498226
903.5396095 904.6515348 906.3318205 907.1520004 908.4613357
911.2736858 911.5861544 913.3838962 914.2282504 915.5326803
916.5896018 918.5099347 919.5660544 919.6815417 921.3450235
922.4450568 925.4649418 926.5021106 928.7629246 929.2219512
931.5531504 932.7414135 934.0589544 935.8204102 938.3682329
939.4464969 942.8163420 943.6161242 944.0867581 946.3792798
947.3207552 948.4596470 948.8149799 951.6139989 952.2481698
952.6996876 953.5556086 955.5474680 956.1469898 957.7372095
958.2904513 959.8711287 960.1035360 961.3416912 962.8401109
964.2352051 965.4653692 966.3924818 969.0248592 970.9046348
971.4721330 973.6110482 974.1986554 976.4889349 977.6434470
978.3543348 978.8657724 980.3676528 980.9470311 982.6401068
983.9221256 987.3532706 988.4642569 988.6178711 990.6434169
991.5994588 994.0800706 995.2087443 996.3185709 997.6781743
1000.1439337 1000.9266274 1003.0396057 1003.4956314 1005.0976174
1005.5172215 1007.5132247 1008.8419593 1009.3074869 1013.3059654
1014.0051680 1014.8314735 1015.8634746 1018.2897866 1018.9620298
1019.5352804 1020.1523619 1022.6252371 1024.5945332 1026.8279232
1027.4738887 1028.7893751 1029.5017196 1031.6078045 1031.8859250
1034.5434423 1035.5539762 1037.0095727 1037.8855273 1040.9721366
1042.3526651 1043.2103126 1044.9936966 1046.8921733 1049.2822391
1050.4313584 1053.0433508 1053.5597781 1056.6130318 1059.0552692
1060.6415571 1061.8187074 1062.9831193 1064.3017505 1066.4448864
1067.1532316 1071.8266784 1072.8553819 1075.2106942 1076.9314317
1077.8905397 1080.1191209 1080.8202436 1083.2506179 1085.7383863
1088.9041055 1090.0215969 1090.9584983 1092.4032652 1093.5406709
1095.0596346 1099.3065044 1101.1547116 1104.8254981 1106.0233268
1106.8993484 1107.4683864 1110.5617620 1110.6867283 1116.0140255
1118.0518276 1120.9430500 1122.3855732 1124.0980540 1125.8477165
1127.2336078 1128.9914311 1130.8674512 1132.8637709 1133.4687991
1134.6830235 1139.5701423 1140.1899269 1142.0592788 1143.6594158
1146.2580663 1147.9711967 1151.4946060 1154.2209460 1159.0293014
1160.6202005 1161.7493330 1164.2690295 1166.5792186 1170.4762923
1171.1411109 1173.4862163 1175.2655934 1176.9752522 1180.3588357
1182.2666807 1183.3721125 1187.1357476 1190.6215230 1195.5456605
1197.8490829 1201.9980091 1203.4246244 1211.7903396 1215.2531021
1215.6241979 1220.2981728 1222.7178827 1224.1557291 1226.8887689
1229.0320534 1231.1922327 1240.4960845 1244.0342579 1249.8640193
1253.8483639 1259.5723379 1261.7542729 1264.3303326 1270.4774285
1272.7692045 1275.0847555 1280.2633866 1285.0845032 1290.0697452
1296.6302192 1302.9161524 1314.7783706 1325.2948212 1336.1052624
1341.5354487 1355.6849303 1380.5403167 1385.1941911
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404111543003695203.eigenfacs
Openam> file on opening on unit 10:
2404111543003695203.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404111543003695203.atom
Openam> file on opening on unit 11:
2404111543003695203.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: 9.9149E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9701E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9784E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0017E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0053E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0164E-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: 0.8376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9764
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: 1.582
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: 2.101
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.384
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: 2.811
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: 3.132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.363
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.669
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 3.894
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.100
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.240
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.440
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.640
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.833
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: 5.379
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.628
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 5.805
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 5.982
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.296
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.571
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: 7.121
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.175
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.295
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.654
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.057
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.423
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.632
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 8.701
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 8.943
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.371
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 9.643
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 9.686
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: 10.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.21
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: 11.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 11.81
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: 12.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 12.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 12.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 13.48
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: 13.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.41
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: 15.65
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: 16.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 16.40
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: 16.91
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: 17.65
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: 18.54
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: 19.06
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: 19.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 19.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 19.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 19.92
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: 20.56
%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= 0.245 for 198 C-alpha atoms.
Bfactors> = 2.404 +/- 9.92
Bfactors> = 27.453 +/- 12.96
Bfactors> Shiftng-fct= 25.049
Bfactors> Scaling-fct= 1.306
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404111543003695203 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=0
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=100
2404111543003695203.eigenfacs
2404111543003695203.atom
making animated gifs
11 models are in 2404111543003695203.7.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 2404111543003695203.7.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 2404111543003695203.7.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 2404111543003695203 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=0
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=100
2404111543003695203.eigenfacs
2404111543003695203.atom
making animated gifs
11 models are in 2404111543003695203.8.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 2404111543003695203.8.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 2404111543003695203.8.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 2404111543003695203 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=0
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=100
2404111543003695203.eigenfacs
2404111543003695203.atom
making animated gifs
11 models are in 2404111543003695203.9.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 2404111543003695203.9.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 2404111543003695203.9.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 2404111543003695203 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=0
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=100
2404111543003695203.eigenfacs
2404111543003695203.atom
making animated gifs
11 models are in 2404111543003695203.10.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 2404111543003695203.10.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 2404111543003695203.10.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 2404111543003695203 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=0
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=100
2404111543003695203.eigenfacs
2404111543003695203.atom
making animated gifs
11 models are in 2404111543003695203.11.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 2404111543003695203.11.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 2404111543003695203.11.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 2404111543003695203 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=0
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=100
2404111543003695203.eigenfacs
2404111543003695203.atom
making animated gifs
11 models are in 2404111543003695203.12.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 2404111543003695203.12.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 2404111543003695203.12.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 2404111543003695203 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=0
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=100
2404111543003695203.eigenfacs
2404111543003695203.atom
making animated gifs
11 models are in 2404111543003695203.13.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 2404111543003695203.13.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 2404111543003695203.13.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 2404111543003695203 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=0
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=100
2404111543003695203.eigenfacs
2404111543003695203.atom
making animated gifs
11 models are in 2404111543003695203.14.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 2404111543003695203.14.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 2404111543003695203.14.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 2404111543003695203 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=0
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=100
2404111543003695203.eigenfacs
2404111543003695203.atom
making animated gifs
11 models are in 2404111543003695203.15.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 2404111543003695203.15.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 2404111543003695203.15.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 2404111543003695203 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=-20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=0
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=20
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=40
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=60
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=80
2404111543003695203.eigenfacs
2404111543003695203.atom
calculating perturbed structure for DQ=100
2404111543003695203.eigenfacs
2404111543003695203.atom
making animated gifs
11 models are in 2404111543003695203.16.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 2404111543003695203.16.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 2404111543003695203.16.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
2404111543003695203.10.pdb
2404111543003695203.11.pdb
2404111543003695203.12.pdb
2404111543003695203.13.pdb
2404111543003695203.14.pdb
2404111543003695203.15.pdb
2404111543003695203.16.pdb
2404111543003695203.7.pdb
2404111543003695203.8.pdb
2404111543003695203.9.pdb
STDERR:
real 0m3.111s
user 0m3.103s
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: 2404111543003695203.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
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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
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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
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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
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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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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
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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