*** ***
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 = 2402161603593066233.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 2402161603593066233.atom to be opened.
Openam> File opened: 2402161603593066233.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 183
First residue number = 96
Last residue number = 288
Number of atoms found = 191
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 33.614864 +/- 9.083740 From: 11.460000 To: 53.033000
= 27.826749 +/- 8.647031 From: 6.241000 To: 48.000000
= 97.849780 +/- 9.283232 From: 77.117000 To: 117.891000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.9975 % Filled.
Pdbmat> 16441 non-zero elements.
Pdbmat> 1700 atom-atom interactions.
Pdbmat> Number per atom= 17.80 +/- 5.98
Maximum number = 32
Minimum number = 6
Pdbmat> Matrix trace = 34000.0
Pdbmat> Larger element = 125.685
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 191 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 573
Diagstd> Number of non-zero elements 16441
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 34000.0000006
%Diagstd-Wn: Nb on non-zero elements there: 573
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 573 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 34000.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5573893 0.7210264 0.8851310 0.9132405
1.0831438 1.5341200 1.5650918 1.8147408 2.0110518
2.2175754 2.2978514 2.4157922 2.7730498 2.8654558
3.1131152 3.2489450 3.5549190 3.6599408 3.8602166
4.1025754 4.2474055 4.3963075 4.6716049 4.7581154
5.0465550 5.1700861 5.4188932 5.4973904 5.8916744
6.1030275 6.2223496 6.6003513 6.6514336 6.6902865
6.9636190 7.0471072 7.3462948 7.6125888 7.8749582
8.0611200 8.1373522 8.1930830 8.3627055 8.9948587
9.2420089 9.3931313 9.6715288 10.0250488 10.2588466
10.5132344 10.7958970 10.8332582 11.0758844 11.2637598
11.4412806 11.4768251 11.7439226 12.0014597 12.1263777
12.5548670 12.7976794 12.9081651 13.2250958 13.4821514
13.6052362 13.8839290 14.2824752 14.3575820 14.7269970
14.7821696 14.9655570 15.0953392 15.2915202 15.3419112
15.7251011 16.0632140 16.4407547 16.5877083 16.8404064
17.1282948 17.3403048 17.5304376 17.7518248 17.8238187
17.9219386 18.0415532 18.3755128 18.6775967 18.7570336
18.8304831 19.0735470 19.3502097 19.7899033 19.8501182
19.9760602 20.1543514 20.6042773 20.9897748 21.1405984
21.2577847 21.5483313 21.6779156 21.8530376 22.1077861
22.2771809 22.5946463 22.7912526 22.9302176 23.1320406
23.4811723 23.8703985 24.0083324 24.1420498 24.4558771
24.5957737 24.7974831 24.9813289 25.1888789 25.3457757
25.4950942 25.6931122 25.7771152 25.9320535 26.3350534
26.5069485 26.6558029 26.7905037 26.9402577 27.1317302
27.3821079 27.5744720 27.6862265 27.9198577 27.9665133
28.1431750 28.3604142 28.5321749 28.6384294 28.8244232
28.9546546 29.1409784 29.3144010 29.4675478 29.6412569
30.0213965 30.1716997 30.4033453 30.4682243 30.9024338
31.1211820 31.4115140 31.5190977 31.6104279 31.8812616
31.9346950 32.1299610 32.3723572 32.4137785 32.7449805
33.0570022 33.2275729 33.3541808 33.7131421 33.7331611
33.7963717 33.9724893 34.2118075 34.5021367 34.6550585
34.9357717 35.0045780 35.1276653 35.1675634 35.2205803
35.5096598 35.5839889 35.8662047 36.0469706 36.0699493
36.1462362 36.2953011 36.5047742 36.7316700 36.9710389
37.0723386 37.1964334 37.3659115 37.5931975 37.7258356
38.0541336 38.3031733 38.4819940 38.5637018 38.7465665
38.8265994 39.0901947 39.1781992 39.4371878 39.7662994
39.9010000 39.9876700 40.1533163 40.2688825 40.4468904
40.6903601 40.7668693 40.9865042 41.2087927 41.3473238
41.5344857 41.7038787 41.8632318 42.1264089 42.2699436
42.4069897 42.6522471 42.8244718 42.9734280 43.1439121
43.2420315 43.3474722 43.7283082 43.8849624 44.0805785
44.2794761 44.3518533 44.3985573 44.7068539 44.7199702
45.2017465 45.2919241 45.5024877 45.7050548 45.7087972
45.8991481 46.0816395 46.3388811 46.5775087 46.6568209
46.8739624 47.1961079 47.2744542 47.3958010 47.6817239
47.8225844 48.0098309 48.2098621 48.3353056 48.5611066
48.7925181 48.8142401 48.9039779 49.0270797 49.1026689
49.2365306 49.3225328 49.5825324 49.7537679 50.0224990
50.2052891 50.3334846 50.6926333 50.7919497 50.9305811
50.9429338 51.0705285 51.0984879 51.4582398 51.5840073
51.7884561 51.9301624 51.9683943 52.2247480 52.3446071
52.5477850 52.8103243 53.1242510 53.4089511 53.5105074
53.5949185 53.7170410 54.0345964 54.1329011 54.2987973
54.5313384 54.7458290 54.8870899 55.0216959 55.1546272
55.4127203 55.4635657 55.6383121 55.7699534 55.9189324
56.0762243 56.1817430 56.3246429 56.4930238 56.7959001
57.0177192 57.1599005 57.3707427 57.9097060 58.0206317
58.3491706 58.6446177 58.8264681 58.9886359 59.4419152
59.4990696 59.8997600 60.1444628 60.1853394 60.4174651
60.4640761 60.5764913 60.6092499 60.8097917 61.1731472
61.3650445 61.6601910 61.8842906 62.0198953 62.2480054
62.5241200 62.7176193 62.8713213 62.9485609 63.1940297
63.8850161 64.0002618 64.2476157 64.3011011 64.5636681
64.8271002 65.0536244 65.3108742 65.4461210 65.6781987
65.8247412 66.2308958 66.5058667 66.5894120 66.6187151
66.6811186 67.2315864 67.4633386 67.5737312 67.9729383
68.2073625 68.2987007 68.3963126 68.7956645 68.9838622
69.2035287 69.5034192 69.5874987 69.8945642 70.1129916
70.1813112 70.4463171 70.5405384 70.6494420 71.0820400
71.1208735 71.2073539 71.5648827 71.7533171 71.9529043
72.0432634 72.4369804 72.5070378 72.6642125 72.8947696
73.2460038 73.5573000 73.9342517 74.1417320 74.3742174
74.6703680 74.8602026 74.8992585 75.2306473 75.3744417
75.6238672 75.9530007 76.3546524 76.5401664 76.6221155
76.9165334 77.0990016 77.3059275 77.6341725 77.9437500
78.1784155 78.3902815 78.8221611 79.2180523 79.4396735
79.5293099 79.7376074 80.2691834 80.3941768 80.4829676
80.7672189 81.0823827 81.2675232 81.4722886 81.7860956
82.0254292 82.0599912 82.1875088 82.4961181 83.0182278
83.1953424 83.2859056 83.4385362 83.7397112 83.9298845
84.3403215 84.8280300 85.2378105 85.4009647 85.4600154
85.7667561 86.1176586 86.5319607 86.9245063 87.1856283
87.5902790 87.8684398 88.0840872 88.4283873 88.6865858
88.8739042 89.1386005 89.5140500 89.6679738 89.7678704
90.2034614 90.4629843 90.6457986 90.7714806 90.9900247
91.1462068 91.5233511 91.6470030 91.9363184 92.0810895
92.4876213 92.7669742 93.2361864 93.2723557 93.5245142
93.9688792 94.2528897 94.5516275 95.1122807 95.5880863
95.7852564 95.8672289 96.1728944 96.5262610 96.7415734
96.9230793 97.0848034 97.4922691 97.8639229 98.2532769
98.5166864 99.4194986 99.6316446 100.1482841 100.5936553
100.7943352 101.3633027 101.8696833 101.9282341 102.5272313
102.9985451 103.1057947 103.1744494 103.2813845 103.8962972
104.3816357 104.7739114 105.0943931 105.4542107 105.5972335
106.1194850 106.5980212 106.9133724 107.3168713 107.9060562
108.1576333 108.5931637 108.9516926 109.3176645 109.6034343
109.6684610 110.7684456 111.0814997 111.4375249 111.8110155
112.3963907 112.5166084 112.9312155 113.7008576 113.7520136
114.7230499 115.4019745 115.6446817 115.9350255 116.5734552
117.4058019 117.7538288 118.0169988 118.6389130 119.1945920
119.7991617 120.0062013 120.7560584 121.4470836 121.6227963
121.8623376 123.0717627 123.2182770 123.6553991 123.8118880
125.2903173 126.3789365 126.8352533 127.2358923 128.0493269
128.5851514 128.7170840 129.5755400 130.6960889 131.1142788
131.7113400 132.1875953 133.1572699 133.4965065 134.1022961
135.1956521 136.4297527 136.6633080 137.0312326 138.0654884
140.8241456 141.1995234 142.9295445 144.4044418 145.8086105
147.1184180 148.7355186 149.8216337 150.4981183 153.9215742
156.5529818 158.5201691 160.5401777 160.9308340 165.6169539
168.8921032 172.9390050 175.1551592
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034205 0.0034247 0.0034272 0.0034339 0.0034444
0.0034479 81.0726941 92.2084785 102.1642744 103.7738353
113.0155868 134.5008237 135.8517368 146.2859382 153.9951014
161.7091060 164.6100126 168.7815893 180.8315136 183.8197357
191.5988395 195.7340848 204.7435066 207.7458271 213.3541621
219.9497963 223.7984846 227.6875648 234.7082374 236.8714748
243.9454860 246.9131194 252.7845792 254.6088947 263.5813315
268.2674276 270.8772209 278.9836839 280.0611784 280.8779444
286.5581615 288.2708434 294.3265608 299.6135609 304.7329454
308.3138074 309.7682041 310.8271589 314.0282235 325.6810217
330.1250444 332.8131490 337.7091631 343.8258518 347.8119887
352.0979158 356.7998356 357.4166891 361.3969529 364.4491747
367.3098699 367.8799863 372.1361586 376.1943901 378.1471451
384.7701194 388.4730485 390.1463392 394.9068741 398.7262974
400.5422407 404.6238453 410.3902358 411.4678745 416.7277094
417.5075852 420.0893996 421.9069883 424.6397165 425.3388113
430.6178255 435.2226635 440.3075727 442.2710114 445.6270702
449.4199483 452.1928009 454.6651412 457.5270560 458.4538855
459.7140459 461.2456060 465.4949931 469.3056440 470.3025773
471.2224921 474.2540104 477.6811665 483.0778411 483.8122143
485.3445965 487.5056947 492.9172006 497.5069705 499.2912081
500.6731270 504.0830592 505.5964788 507.6345668 510.5848296
512.5372042 516.1762926 518.4171708 519.9952403 522.2786258
526.2052394 530.5485291 532.0791954 533.5588785 537.0156005
538.5493724 540.7531799 542.7540201 545.0040124 546.6987416
548.3067478 550.4319524 551.3310309 552.9854889 557.2657882
559.0815335 560.6491454 562.0639352 563.6326632 565.6320703
568.2359661 570.2284520 571.3828018 573.7885540 574.2677698
576.0787101 578.2978330 580.0463778 581.1254269 583.0094478
584.3250096 586.2020663 587.9437696 589.4775624 591.2124730
594.9914511 596.4790143 598.7643933 599.4029176 603.6589207
605.7917043 608.6108844 609.6522323 610.5348622 613.1447723
613.6583758 615.5316368 617.8491339 618.2442844 621.3948479
624.3484155 625.9571288 627.1485462 630.5142348 630.7014077
631.2920488 632.9347863 635.1602198 637.8495831 639.2615721
641.8454259 642.4771748 643.6057617 643.9711628 644.4563891
647.0957333 647.7726320 650.3362936 651.9730834 652.1808555
652.8701633 654.2149767 656.1001146 658.1359540 660.2769058
661.1808583 662.2865414 663.7936149 665.8093860 666.9829221
669.8787472 672.0671342 673.6341005 674.3488766 675.9458283
676.6435680 678.9365627 679.7003845 681.9432724 684.7828412
685.9416444 686.6862161 688.1070223 689.0965394 690.6179298
692.6933955 693.3443180 695.2095340 697.0922036 698.2629244
699.8415106 701.2671646 702.6056802 704.8107182 706.0104258
707.1540003 709.1959367 710.6263187 711.8611303 713.2717795
714.0823922 714.9524660 718.0862615 719.3713631 720.9728703
722.5976037 723.1879255 723.5685957 726.0764234 726.1829247
730.0840959 730.8119929 732.5088069 734.1374808 734.1675368
735.6946413 737.1557228 739.2103715 741.1112536 741.7419678
743.4660026 746.0163965 746.6353397 747.5929791 749.8445765
750.9513487 752.4200648 753.9859008 754.9662105 756.7275885
758.5284879 758.6973143 759.3943711 760.3495495 760.9354714
761.9719811 762.6371646 764.6446117 765.9638406 768.0296253
769.4315966 770.4133136 773.1570247 773.9140343 774.9694741
775.0634490 776.0334767 776.2458737 778.9736073 779.9249590
781.4690137 782.5374315 782.8254377 784.7538530 785.6538669
787.1771654 789.1411630 791.4831808 793.6011795 794.3553316
794.9816198 795.8868351 798.2358638 798.9616459 800.1849620
801.8965752 803.4720960 804.5080292 805.4939194 806.4663607
808.3510665 808.7218434 809.9948419 810.9525075 812.0349393
813.1762058 813.9409237 814.9754077 816.1926708 818.3776751
819.9742243 820.9959457 822.5087301 826.3631842 827.1542521
829.4928059 831.5901951 832.8785314 834.0257452 837.2240153
837.6264207 840.4421431 842.1570821 842.4432158 844.0662397
844.3917680 845.1763532 845.4048498 846.8023183 849.3284905
850.6595989 852.7028470 854.2509856 855.1864176 856.7576686
858.6557339 859.9833886 861.0365237 861.5652683 863.2434768
867.9501540 868.7326727 870.4098312 870.7720591 872.5481026
874.3263722 875.8526115 877.5826502 878.4908363 880.0470612
881.0283031 883.7422021 885.5748189 886.1308779 886.3258308
886.7408555 890.3934568 891.9267624 892.6562091 895.2891102
896.8316122 897.4318965 898.0729682 900.6909836 901.9221093
903.3569707 905.3121839 905.8596044 907.8560266 909.2734898
909.7163899 911.4323242 912.0416366 912.7453904 915.5355700
915.7856233 916.3422352 918.6398101 919.8484310 921.1268561
921.7050541 924.2201848 924.6670068 925.6686717 927.1360412
929.3670006 931.3398163 933.7231387 935.0323652 936.4972033
938.3598690 939.5519091 939.7969675 941.8737203 942.7734299
944.3320321 946.3847826 948.8838006 950.0358224 950.5442729
952.3687389 953.4977164 954.7764051 956.8012730 958.7070667
960.1491732 961.4493106 964.0941537 966.5122450 967.8632628
968.4091568 969.6765213 972.9033585 973.6605560 974.1980837
975.9169132 977.8191346 978.9348557 980.1673647 982.0532068
983.4890662 983.6962442 984.4602580 986.3068214 989.4230172
990.4778937 991.0168445 991.9245027 993.7130876 994.8408115
997.2703481 1000.1496126 1002.5624234 1003.5214701 1003.8683539
1005.6683267 1007.7235016 1010.1446140 1012.4332428 1013.9527821
1016.3030642 1017.9155242 1019.1638471 1021.1537406 1022.6434672
1023.7228798 1025.2462415 1027.4031280 1028.2860838 1028.8587166
1031.3519212 1032.8344981 1033.8775857 1034.5940823 1035.8387930
1036.7274078 1038.8700759 1039.5716180 1041.2112084 1042.0306778
1044.3283919 1045.9043664 1048.5461042 1048.7494669 1050.1661382
1052.6580205 1054.2475912 1055.9170066 1059.0429611 1061.6886237
1062.7830351 1063.2377001 1064.9313781 1066.8860144 1068.0752552
1069.0767434 1069.9682924 1072.2112745 1074.2530381 1076.3878876
1077.8297788 1082.7571607 1083.9117643 1086.7184403 1089.1321423
1090.2179860 1093.2907070 1096.0181807 1096.3331100 1099.5497775
1102.0741744 1102.6478047 1103.0148521 1103.5863135 1106.8666830
1109.4489648 1111.5317149 1113.2303901 1115.1344761 1115.8904235
1118.6464457 1121.1658259 1122.8229858 1124.9397983 1128.0236113
1129.3378088 1131.6093398 1133.4758489 1135.3779425 1136.8609823
1137.1981767 1142.8870478 1144.5009238 1146.3335656 1148.2529670
1151.2548238 1151.8703429 1153.9906276 1157.9162546 1158.1767085
1163.1095521 1166.5460836 1167.7721480 1169.2371651 1172.4521161
1176.6303864 1178.3730433 1179.6890910 1182.7933110 1185.5600486
1188.5628997 1189.5895067 1193.3002859 1196.7097389 1197.5751410
1198.7538985 1204.6877402 1205.4046044 1207.5408237 1208.3046683
1215.4974019 1220.7665716 1222.9684985 1224.8984927 1228.8077175
1231.3760162 1232.0075707 1236.1090728 1241.4424053 1243.4269484
1246.2548585 1248.5059928 1253.0768924 1254.6720707 1257.5156168
1262.6315666 1268.3812877 1269.4664997 1271.1741784 1275.9623124
1288.6466312 1290.3629826 1298.2438834 1304.9250146 1311.2541207
1317.1304905 1324.3495441 1329.1761640 1332.1735766 1347.2401855
1358.7074360 1367.2172958 1375.9008848 1377.5739172 1397.4866784
1411.2369933 1428.0445571 1437.1653811
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402161603593066233.eigenfacs
Openam> file on opening on unit 10:
2402161603593066233.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402161603593066233.atom
Openam> file on opening on unit 11:
2402161603593066233.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 183
First residue number = 96
Last residue number = 288
Number of atoms found = 191
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9215E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9459E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9606E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9994E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0061E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0081E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7210
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8851
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.083
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.534
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.565
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.815
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.011
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.218
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.298
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.416
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.773
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.249
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.555
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.660
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.860
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.247
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.396
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.758
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.170
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.497
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.892
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.222
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.600
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.651
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.690
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.964
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.346
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.875
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.061
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.193
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.363
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 8.995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.242
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.393
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 10.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 11.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 12.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 12.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 13.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 13.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 14.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 15.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 17.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 17.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 18.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 18.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 19.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 19.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.26
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 573 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.557400
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.451 for 191 C-alpha atoms.
Bfactors> = 1.635 +/- 2.60
Bfactors> = 21.846 +/- 11.71
Bfactors> Shiftng-fct= 20.210
Bfactors> Scaling-fct= 4.505
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402161603593066233 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=0
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=100
2402161603593066233.eigenfacs
2402161603593066233.atom
making animated gifs
11 models are in 2402161603593066233.7.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 2402161603593066233.7.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 2402161603593066233.7.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 2402161603593066233 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=0
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=100
2402161603593066233.eigenfacs
2402161603593066233.atom
making animated gifs
11 models are in 2402161603593066233.8.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 2402161603593066233.8.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 2402161603593066233.8.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 2402161603593066233 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=0
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=100
2402161603593066233.eigenfacs
2402161603593066233.atom
making animated gifs
11 models are in 2402161603593066233.9.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 2402161603593066233.9.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 2402161603593066233.9.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 2402161603593066233 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=0
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=100
2402161603593066233.eigenfacs
2402161603593066233.atom
making animated gifs
11 models are in 2402161603593066233.10.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 2402161603593066233.10.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 2402161603593066233.10.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 2402161603593066233 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=0
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=100
2402161603593066233.eigenfacs
2402161603593066233.atom
making animated gifs
11 models are in 2402161603593066233.11.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 2402161603593066233.11.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 2402161603593066233.11.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 2402161603593066233 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=0
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=100
2402161603593066233.eigenfacs
2402161603593066233.atom
making animated gifs
11 models are in 2402161603593066233.12.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 2402161603593066233.12.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 2402161603593066233.12.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 2402161603593066233 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=0
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=100
2402161603593066233.eigenfacs
2402161603593066233.atom
making animated gifs
11 models are in 2402161603593066233.13.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 2402161603593066233.13.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 2402161603593066233.13.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 2402161603593066233 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=0
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=100
2402161603593066233.eigenfacs
2402161603593066233.atom
making animated gifs
11 models are in 2402161603593066233.14.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 2402161603593066233.14.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 2402161603593066233.14.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 2402161603593066233 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=0
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=100
2402161603593066233.eigenfacs
2402161603593066233.atom
making animated gifs
11 models are in 2402161603593066233.15.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 2402161603593066233.15.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 2402161603593066233.15.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 2402161603593066233 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=-20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=0
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=20
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=40
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=60
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=80
2402161603593066233.eigenfacs
2402161603593066233.atom
calculating perturbed structure for DQ=100
2402161603593066233.eigenfacs
2402161603593066233.atom
making animated gifs
11 models are in 2402161603593066233.16.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 2402161603593066233.16.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 2402161603593066233.16.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
2402161603593066233.10.pdb
2402161603593066233.11.pdb
2402161603593066233.12.pdb
2402161603593066233.13.pdb
2402161603593066233.14.pdb
2402161603593066233.15.pdb
2402161603593066233.16.pdb
2402161603593066233.7.pdb
2402161603593066233.8.pdb
2402161603593066233.9.pdb
STDERR:
real 0m2.706s
user 0m2.702s
sys 0m0.004s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2402161603593066233.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
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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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