*** ***
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 = 240504011453215779.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 240504011453215779.atom to be opened.
Openam> File opened: 240504011453215779.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 = 189
First residue number = 96
Last residue number = 1289
Number of atoms found = 193
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 97.474337 +/- 7.491572 From: 80.375000 To: 116.291000
= 82.796725 +/- 9.377332 From: 63.061000 To: 100.743000
= -30.675425 +/- 10.374665 From: -51.777000 To: -9.626000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> 1 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.7910 % Filled.
Pdbmat> 16440 non-zero elements.
Pdbmat> 1698 atom-atom interactions.
Pdbmat> Number per atom= 17.60 +/- 5.59
Maximum number = 31
Minimum number = 5
Pdbmat> Matrix trace = 33960.0
Pdbmat> Larger element = 120.784
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 193 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) = 579
Diagstd> Number of non-zero elements 16440
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: 579
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 579 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 0.5006946 0.5515529 0.8599183 0.9568427
1.1368587 1.1976684 1.5437362 1.5914699 1.8631090
2.1744135 2.5272067 2.5834028 2.8034573 3.0207487
3.1005779 3.2590878 3.5468371 3.6714140 3.9006542
3.9675156 4.2338411 4.2980843 4.3966824 4.7022428
4.8425739 5.5176733 5.7653239 6.0993883 6.1999032
6.4115957 6.4978450 6.5666542 7.0420174 7.2615162
7.3501908 7.6134765 8.0172491 8.2528898 8.3771140
8.7227630 8.8290749 8.9640231 9.2553086 9.7789878
10.0677039 10.1793550 10.3551961 10.6553228 10.8095793
11.1269548 11.2342323 11.4636233 11.5413019 11.8189572
11.9167624 12.2082551 12.5414509 12.9153660 13.0284220
13.3285851 13.5914342 13.8807838 14.0246324 14.2701087
14.6053390 14.8379497 15.0342515 15.1875118 15.3829962
15.4478301 15.6940319 16.0755625 16.2395903 16.5648309
16.5957570 16.8612992 17.0618332 17.1577070 17.3672959
17.6436708 17.7823882 17.9550052 18.0689669 18.5401333
18.5912708 18.8573266 19.3751740 19.6937952 19.8890798
20.0160014 20.1660925 20.3775869 20.5874044 20.8486672
20.9054311 21.2444965 21.3886743 21.7346550 21.8937299
22.2092749 22.2872189 22.5332398 22.8595197 22.8995449
23.0730264 23.1711977 23.2308462 23.3808011 23.6666480
23.8371911 24.0148574 24.1720878 24.6207945 24.7755872
24.8309903 25.2147233 25.4336179 25.5336599 25.5667284
25.8178981 26.2544489 26.5666844 26.6491297 26.7254545
26.8242005 26.8747421 27.0129952 27.1879425 27.4123334
27.5873124 27.7259220 27.8491277 27.9650773 28.0061189
28.1326931 28.2962766 28.5670959 28.6004873 28.8632983
29.0164453 29.0646195 29.3278601 29.4576892 29.7587447
29.8944101 30.0093939 30.1381200 30.2880702 30.4133851
30.5960900 30.9338239 31.0258700 31.2447077 31.3767845
31.4055969 31.6176859 31.7017040 31.9978060 32.3656901
32.5862150 32.7528576 32.7875747 33.0942365 33.2548146
33.5359541 33.8043377 34.0650577 34.1742488 34.3096184
34.7392421 34.9929161 34.9994073 35.1623640 35.3610384
35.5088077 35.7236285 35.7780158 35.8950192 36.0785795
36.2466306 36.2584256 36.5258928 36.6523580 36.8826773
36.9819053 37.3406877 37.4399240 37.5761788 37.6541670
38.0911158 38.1565883 38.2833589 38.6576508 38.8233212
38.9254312 39.0318031 39.1152763 39.2115616 39.5680633
39.6549853 39.7710693 40.0283277 40.2535895 40.3643820
40.4362869 40.5314893 41.0050603 41.0226641 41.0648090
41.1733015 41.5133743 41.5495116 41.7581049 41.8320391
42.0613091 42.1710366 42.2440230 42.4676170 42.5936343
42.6381062 42.9284049 43.1189033 43.2679527 43.3218976
43.4713089 43.5813018 43.7003841 44.1430542 44.3304338
44.5170871 44.6879077 44.7218408 45.0165149 45.0685788
45.2358894 45.3229322 45.4129981 45.6297774 45.8860853
46.0696139 46.1092173 46.1453444 46.3489208 46.4249273
46.7500316 46.8280829 46.9098527 47.0397458 47.3269495
47.4379252 47.8145814 47.8792376 48.0987396 48.2687125
48.5175438 48.6110364 48.6795055 48.7377569 49.1221993
49.1401184 49.2659656 49.4433617 49.5636439 49.8019176
49.8950318 49.9548411 50.1734215 50.3058655 50.6340174
50.6446928 50.8756637 51.0438994 51.3246236 51.4567193
51.7565156 51.8897583 52.1882924 52.3827693 52.6745606
52.7540128 52.8571734 53.0448914 53.1798362 53.3392733
53.5303804 53.6697690 53.7862319 54.0253771 54.2327168
54.3483630 54.7501141 54.9491776 55.0178445 55.3648575
55.6120299 55.7651192 55.9653218 56.0807963 56.2814603
56.4231233 56.6732837 56.7093913 56.8618859 57.0380641
57.2444009 57.3341654 57.4923936 57.7257758 57.8433504
58.2180485 58.3736498 58.5389839 58.7311920 58.9588493
59.1800887 59.3417628 59.5032421 59.8420724 60.0108311
60.3866302 60.5531370 60.6801134 61.0231896 61.4329013
61.5672469 61.7127472 61.8061082 62.1410662 62.3717815
62.6703753 62.8796713 62.9752191 63.0879808 63.4451618
63.6076252 63.8025328 63.8629535 64.2073617 64.2385837
64.3948489 64.6604614 64.7625196 64.9577067 65.0713452
65.3526917 65.5888831 65.6792099 65.8154413 66.3388168
66.4020882 66.4682857 66.6486668 66.8440221 67.2738740
67.4160444 67.6341256 67.9075376 68.1489373 68.2424098
68.3885791 68.6795691 69.1915811 69.3865076 69.4834307
69.6461118 69.8420029 70.0600726 70.1428714 70.5066094
70.6505768 70.7621782 70.8520157 70.9150506 71.5606940
71.6871735 71.8618374 72.1719744 72.1857311 72.5672358
72.7178786 72.8590270 73.0323972 73.4588092 73.4926891
73.7903906 73.9545880 74.1882891 74.3231533 74.6031215
74.8139191 75.1384323 75.3970742 75.4450769 75.9077433
76.1507156 76.1865436 76.3860644 76.7122656 77.2039805
77.3486563 77.7087250 77.7773808 77.9430191 78.2380822
78.3766087 78.7525020 79.1535004 79.3408342 79.4653297
79.7702897 79.9427741 80.3082384 80.4265579 80.5310550
81.2185429 81.3473772 81.7560296 81.7648259 81.9075072
81.9834375 82.3018549 82.6829392 82.9599050 83.1221496
83.5000783 83.5929727 83.8181243 84.0017467 84.1103777
84.5106849 84.7300141 85.1276589 85.2738212 85.5080022
85.6635767 85.8622851 86.1214240 86.2882671 86.6702087
87.1550224 87.2688176 87.7111724 87.7563289 87.9666135
88.2203010 88.7743063 89.1080033 89.2757161 89.7419446
89.9499768 90.3146804 90.5397191 90.8938341 91.0711161
91.3413671 91.8903470 92.1912163 92.2936761 92.6693544
92.7036368 93.3657040 93.5419586 93.9579797 94.1114359
94.1829849 94.8473244 94.9965875 95.1398803 95.5151989
95.6047947 95.9230552 96.4036250 96.9190407 97.1040275
97.7716641 97.8739226 98.0928242 98.7715358 98.9583700
99.5396339 99.5679294 99.7509475 100.4892681 100.8113370
101.0689821 101.4635882 101.5335408 101.7770069 101.9476251
102.1783597 102.7570326 103.0400017 103.7781990 103.9063762
104.1852391 104.5127716 104.9812505 105.0814932 105.2832229
105.9897872 106.1256415 106.3110841 106.9582764 107.7003176
108.2429858 108.3495137 108.6322207 109.2452490 109.9592995
110.1700712 110.5603242 111.2160356 111.8168858 112.4256553
112.8636278 112.8875824 113.4025028 113.6709454 114.0968913
114.3516027 114.3691199 115.2982492 115.4328699 115.9513747
116.7672204 116.9528876 117.7199785 118.0683303 118.4233008
119.0821184 119.5063134 119.7048934 120.5982217 121.0597646
121.1843793 122.1872187 122.4044143 122.9113168 124.3261473
124.4436386 124.8722383 125.2126335 126.1893596 126.3065051
126.8708366 127.8488041 128.5042460 129.2940766 130.0906064
131.4761132 133.3008825 133.6405140 133.8457192 135.1291508
135.4228547 136.0464383 138.2920267 138.7988809 140.0066926
140.1078635 141.0602082 143.2828039 144.2940765 145.3248194
147.0257699 148.3998348 152.0208775 154.3477800 160.4876267
160.9666039 164.0841925 164.4326253 176.8935098
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034215 0.0034291 0.0034322 0.0034361 0.0034410
0.0034447 76.8390062 80.6471219 100.6987012 106.2222631
115.7839914 118.8402555 134.9217071 136.9917762 148.2225934
160.1276576 172.6297592 174.5385427 181.8202498 188.7350569
191.2126438 196.0393767 204.5106379 208.0711955 214.4687438
216.2990455 223.4408412 225.1296753 227.6972732 235.4766254
238.9645114 255.0781586 260.7396854 268.1874321 270.3881992
274.9655887 276.8088386 278.2706182 288.1667226 292.6233208
294.4045963 299.6310284 307.4736974 311.9595629 314.2986333
320.7172481 322.6657597 325.1223036 330.3624906 339.5801005
344.5565404 346.4618418 349.4414699 354.4692655 357.0258614
362.2291876 363.9711666 367.6683386 368.9119138 373.3230974
374.8645917 379.4216236 384.5644832 390.2551468 391.9594939
396.4489795 400.3390224 404.5780108 406.6689587 410.2125289
415.0028712 418.2945706 421.0524376 423.1931158 425.9079495
426.8045319 430.1922143 435.3899192 437.6055433 441.9659211
442.3782989 445.9034148 448.5471760 449.8056473 452.5445955
456.1311718 457.9207510 460.1379444 461.5958989 467.5754562
468.2198469 471.5582439 477.9892028 481.9033977 484.2867926
485.8295671 487.6476747 490.1981383 492.7153332 495.8318598
496.5063924 500.5166178 502.2121488 506.2577167 508.1069772
511.7554427 512.6526657 515.4743977 519.1930033 519.6473372
521.6119847 522.7204874 523.3928614 525.0793927 528.2793753
530.1793637 532.1514946 533.8907077 538.8232317 540.5143872
541.1183984 545.2835347 547.6452830 548.7212954 549.0765036
551.7669989 556.4123147 559.7111497 560.5789622 561.3811553
562.4173028 562.9469012 564.3930424 566.2177137 568.5495013
570.3612038 571.7922686 573.0612975 574.2530261 574.6742584
575.9714211 577.6435477 580.4012336 580.7403434 583.4024639
584.9481668 585.4335412 588.0787250 589.3789462 592.3829959
593.7317513 594.8724993 596.1469945 597.6281997 598.8632473
600.6593547 603.9654350 604.8633416 606.9927631 608.2743423
608.5535588 610.6049496 611.4156960 614.2644492 617.7855073
619.8865873 621.4695846 621.7988678 624.6999389 626.2136731
628.8551375 631.3664443 633.7965123 634.8114750 636.0675270
640.0375438 642.3701442 642.4297216 643.9235561 645.7401425
647.0879691 649.0423905 649.5362687 650.5974782 652.2588720
653.7761917 653.8825555 656.2898692 657.4250384 659.4873955
660.3739318 663.5695306 664.4506945 665.6586609 666.3490799
670.2041732 670.7799121 671.8932807 675.1698021 676.6150020
677.5042069 678.4292863 679.1543415 679.9897236 683.0738774
683.8237445 684.8239086 687.0352233 688.9656771 689.9131676
690.5273981 691.3398024 695.3668902 695.5161373 695.8733165
696.7919530 699.6636280 699.9680899 701.7229340 702.3438721
704.2659195 705.1839487 705.7939244 707.6593127 708.7084796
709.0783639 711.4881250 713.0650218 714.2963867 714.7415272
715.9729897 716.8782099 717.8569469 721.4836091 723.0132743
724.5337994 725.9225555 726.1981124 728.5866600 729.0078614
730.3597764 731.0621168 731.7881410 733.5326603 735.5899456
737.0595315 737.3762673 737.6650820 739.2904456 739.8963697
742.4825216 743.1020675 743.7505758 744.7795846 747.0497705
747.9251263 750.8885104 751.3960255 753.1164405 754.4459607
756.3880933 757.1165164 757.6495318 758.1027098 761.0867862
761.2255899 762.1997115 763.5707362 764.4989521 766.3343858
767.0504557 767.5100506 769.1873611 770.2019132 772.7098950
772.7913477 774.5515445 775.8311315 777.9616106 778.9620991
781.2279913 782.2329471 784.4799058 785.9402079 788.1261560
788.7203213 789.4911171 790.8917815 791.8971463 793.0833410
794.5028238 795.5365604 796.3992462 798.1677642 799.6979099
800.5500962 803.5035401 804.9629265 805.4657274 808.0018842
809.8035084 810.9173599 812.3716948 813.2093552 814.6629374
815.6875649 817.4938021 817.7541809 818.8529347 820.1205020
821.6025670 822.2464892 823.3803066 825.0498116 825.8896055
828.5602648 829.6667860 830.8409049 832.2037872 833.8151458
835.3781011 836.5184071 837.6557907 840.0373435 841.2209905
843.8508221 845.0134151 845.8989231 848.2868451 851.1297943
852.0599398 853.0661712 853.7112004 856.0214167 857.6090487
859.6594232 861.0936997 861.7476822 862.5188481 864.9570339
866.0637698 867.3896584 867.8002684 870.1371131 870.3486477
871.4065988 873.2019161 873.8907622 875.2066771 875.9718955
877.8635565 879.4484704 880.0538357 880.9660640 884.4619235
884.8836057 885.3245744 886.5250534 887.8233592 890.6734340
891.6140709 893.0550282 894.8583024 896.4474253 897.0619945
898.0221947 899.9306871 903.2789875 904.5504517 905.1819953
906.2410241 907.5146048 908.9302803 909.4672204 911.8222707
912.7527209 913.4733398 914.0530149 914.4595272 918.6129262
919.4243656 920.5437613 922.5280360 922.6159537 925.0507730
926.0104351 926.9087113 928.0108595 930.7160909 930.9306931
932.8142777 933.8515445 935.3258946 936.1756564 937.9372411
939.2614181 941.2962856 942.9149616 943.2150747 946.1027839
947.6157595 947.8386539 949.0789642 951.1032923 954.1466423
955.0402317 957.2605732 957.6833504 958.7025719 960.5155021
961.3654592 963.6680504 966.1183766 967.2609648 968.0195426
969.8752233 970.9232201 973.1400132 973.8566214 974.4890751
978.6398069 979.4156918 981.8726807 981.9254995 982.7818661
983.2372924 985.1448515 987.4229873 989.0754070 990.0421010
992.2902444 992.8420558 994.1782303 995.2666199 995.9099512
998.2770590 999.5716257 1001.9144157 1002.7741789 1004.1501561
1005.0632239 1006.2282395 1007.7455322 1008.7212131 1010.9512214
1013.7747959 1014.4364046 1017.0041810 1017.2659402 1018.4840138
1019.9515631 1023.1490938 1025.0702665 1026.0344702 1028.7101342
1029.9017787 1031.9875432 1033.2724538 1035.2911269 1036.3002666
1037.8367237 1040.9508542 1042.6536131 1043.2328465 1045.3539123
1045.5472552 1049.2741374 1050.2640735 1052.5969695 1053.4561917
1053.8565653 1057.5668336 1058.3986631 1059.1966066 1061.2837697
1061.7814089 1063.5472322 1066.2080635 1069.0544699 1070.0742214
1073.7465561 1074.3079201 1075.5086299 1079.2229782 1080.2432143
1083.4111476 1083.5651238 1084.5605296 1088.5668928 1090.3099300
1091.7023021 1093.8314058 1094.2084042 1095.5195134 1096.4373891
1097.6774530 1100.7813360 1102.2959426 1106.2374203 1106.9203700
1108.4047458 1110.1456532 1112.6309875 1113.1620658 1114.2300468
1117.9626392 1118.6788943 1119.6558502 1123.0587559 1126.9477277
1129.7833289 1130.3391331 1131.8128203 1135.0018248 1138.7050914
1139.7959127 1141.8128651 1145.1937929 1148.2831091 1151.4046898
1153.6452524 1153.7676731 1156.3960516 1157.7639332 1159.9310823
1161.2250831 1161.3140219 1166.0217102 1166.7022273 1169.3196052
1173.4261202 1174.3586602 1178.2036598 1179.9456160 1181.7180286
1185.0005616 1187.1092933 1188.0951754 1192.5201670 1194.7999420
1195.4147263 1200.3507548 1201.4171312 1203.9022219 1210.8114471
1211.3834355 1213.4677214 1215.1205205 1219.8506121 1220.4166935
1223.1400367 1227.8451956 1230.9885662 1234.7658075 1238.5634198
1245.1415010 1253.7524438 1255.3486183 1256.3120433 1262.3209908
1263.6920767 1266.5982059 1277.0086850 1279.3467274 1284.9010334
1285.3651941 1289.7262539 1299.8472392 1304.4262557 1309.0769509
1316.7156921 1322.8542260 1338.8961656 1349.1041369 1375.6756737
1377.7270043 1391.0048760 1392.4809922 1444.2794427
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240504011453215779.eigenfacs
Openam> file on opening on unit 10:
240504011453215779.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240504011453215779.atom
Openam> file on opening on unit 11:
240504011453215779.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 = 189
First residue number = 96
Last residue number = 1289
Number of atoms found = 193
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: 9.9275E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9715E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9897E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0013E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0041E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0063E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5516
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8599
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9568
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.198
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.544
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.591
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.174
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.527
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.583
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.803
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.021
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.101
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.259
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.547
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.671
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.901
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.234
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.298
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.397
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.702
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.843
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.518
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.765
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.099
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.200
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.412
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.498
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.567
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.262
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.350
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.017
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.253
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.377
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.723
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.829
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.964
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.255
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.779
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 10.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 11.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 20.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 22.21
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 579 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 : 0.500700
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= 0.642 for 192 C-alpha atoms.
Bfactors> = 1.662 +/- 3.00
Bfactors> = 19.381 +/- 8.86
Bfactors> Shiftng-fct= 17.720
Bfactors> Scaling-fct= 2.957
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240504011453215779 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=0
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=100
240504011453215779.eigenfacs
240504011453215779.atom
making animated gifs
11 models are in 240504011453215779.7.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 240504011453215779.7.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 240504011453215779.7.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 240504011453215779 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=0
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=100
240504011453215779.eigenfacs
240504011453215779.atom
making animated gifs
11 models are in 240504011453215779.8.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 240504011453215779.8.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 240504011453215779.8.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 240504011453215779 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=0
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=100
240504011453215779.eigenfacs
240504011453215779.atom
making animated gifs
11 models are in 240504011453215779.9.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 240504011453215779.9.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 240504011453215779.9.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 240504011453215779 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=0
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=100
240504011453215779.eigenfacs
240504011453215779.atom
making animated gifs
11 models are in 240504011453215779.10.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 240504011453215779.10.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 240504011453215779.10.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 240504011453215779 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=0
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=100
240504011453215779.eigenfacs
240504011453215779.atom
making animated gifs
11 models are in 240504011453215779.11.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 240504011453215779.11.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 240504011453215779.11.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 240504011453215779 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=0
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=100
240504011453215779.eigenfacs
240504011453215779.atom
making animated gifs
11 models are in 240504011453215779.12.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 240504011453215779.12.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 240504011453215779.12.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 240504011453215779 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=0
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=100
240504011453215779.eigenfacs
240504011453215779.atom
making animated gifs
11 models are in 240504011453215779.13.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 240504011453215779.13.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 240504011453215779.13.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 240504011453215779 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=0
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=100
240504011453215779.eigenfacs
240504011453215779.atom
making animated gifs
11 models are in 240504011453215779.14.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 240504011453215779.14.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 240504011453215779.14.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 240504011453215779 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=0
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=100
240504011453215779.eigenfacs
240504011453215779.atom
making animated gifs
11 models are in 240504011453215779.15.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 240504011453215779.15.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 240504011453215779.15.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 240504011453215779 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=-20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=0
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=20
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=40
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=60
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=80
240504011453215779.eigenfacs
240504011453215779.atom
calculating perturbed structure for DQ=100
240504011453215779.eigenfacs
240504011453215779.atom
making animated gifs
11 models are in 240504011453215779.16.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 240504011453215779.16.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 240504011453215779.16.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
240504011453215779.10.pdb
240504011453215779.11.pdb
240504011453215779.12.pdb
240504011453215779.13.pdb
240504011453215779.14.pdb
240504011453215779.15.pdb
240504011453215779.16.pdb
240504011453215779.7.pdb
240504011453215779.8.pdb
240504011453215779.9.pdb
STDERR:
real 0m2.840s
user 0m2.832s
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: 240504011453215779.Chkmod.res: No such file or directory
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
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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