*** ***
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 = 240414135517111621.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 240414135517111621.atom to be opened.
Openam> File opened: 240414135517111621.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 = 195
First residue number = 96
Last residue number = 401
Number of atoms found = 198
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.451227 +/- 9.187021 From: -18.707000 To: 21.574000
= -0.305838 +/- 7.563530 From: -19.718000 To: 15.803000
= 31.946283 +/- 10.765589 From: 12.786000 To: 54.094000
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 9.5544 % Filled.
Pdbmat> 16884 non-zero elements.
Pdbmat> 1744 atom-atom interactions.
Pdbmat> Number per atom= 17.62 +/- 5.54
Maximum number = 30
Minimum number = 6
Pdbmat> Matrix trace = 34880.0
Pdbmat> Larger element = 122.324
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 198 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 594
Diagstd> Number of non-zero elements 16884
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 34880.0000006
%Diagstd-Wn: Nb on non-zero elements there: 594
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 594 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 34880.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5090230 0.5971523 0.8593656 0.9154282
1.0718348 1.4691272 1.5582428 1.9124318 1.9909367
2.2351555 2.4707450 2.5301392 2.6120106 2.8018264
2.9542753 3.3083745 3.5148007 3.8699290 3.9858555
4.0021641 4.3493375 4.5652600 4.6782314 4.8971395
5.1790721 5.3962750 5.6417291 5.7049093 5.9581506
6.0542713 6.5344405 6.7316748 6.8914769 7.1508096
7.2395126 7.5464350 7.7750465 7.8146489 8.1472172
8.6419022 8.7948713 9.1062290 9.3514864 9.4298553
9.5482534 9.8932286 9.9797173 10.2584522 10.4244308
10.8042147 10.9326219 11.0242073 11.1818575 11.4011615
11.5496088 11.7186342 11.8055207 12.0864396 12.4553096
12.9310475 13.0901685 13.3440126 13.3575006 13.8076087
13.9806157 14.1431577 14.4541547 14.6387858 14.6938028
14.8093467 15.1892934 15.5839492 15.7247454 15.9859802
16.1744667 16.2724807 16.4690995 16.6265137 16.9915975
17.3136220 17.5565047 17.6320377 17.8737512 18.0783857
18.3379586 18.4976738 18.7297792 18.7755531 19.0678108
19.1038592 19.6206626 19.7665472 19.8207347 20.0585643
20.2835343 20.4037021 20.7684785 20.8122878 21.0948868
21.2195393 21.7252509 21.8121279 21.9734919 22.3828936
22.5055007 22.5705345 22.9199390 23.0402851 23.2386635
23.4915212 23.7059515 23.7668305 23.8431661 24.2166376
24.4737442 24.7012781 24.9443251 25.0192974 25.2582941
25.3518718 25.4285717 25.6115719 25.8276734 25.9897924
26.2333331 26.3565266 26.5447095 26.8605444 26.9795512
27.1689560 27.4684491 27.5291442 27.7491875 27.8923509
27.9605244 28.0803759 28.4591757 28.6976592 28.9218134
29.0490995 29.1947563 29.4254552 29.5074323 29.6862906
29.9836156 30.0455843 30.1683559 30.4918922 30.5567284
30.6781570 30.7482376 30.9831995 31.1235067 31.1609671
31.4091603 31.6645004 31.7951928 31.9273844 32.1796932
32.3765663 32.5390338 32.7468832 33.1150943 33.2347987
33.3474050 33.4855533 33.5538583 33.7584661 33.9680680
34.2321812 34.3056553 34.3185314 34.4812189 34.7074011
35.0652383 35.1656540 35.3069589 35.3603785 35.4057724
35.7278653 36.0793574 36.2294632 36.2552648 36.5329819
36.6352376 36.8283675 36.9860006 37.1585986 37.2463622
37.5297876 37.6951500 37.7964982 38.0775135 38.2030305
38.3861985 38.5582178 38.7218356 38.7469068 39.0284954
39.0542414 39.3637639 39.4664814 39.6738762 39.7173614
39.9351571 40.1369889 40.1525692 40.3202231 40.5034991
40.7668514 40.8313816 41.0415357 41.1473142 41.2512918
41.4885461 41.5337270 41.7788528 41.8728256 42.0827508
42.2998330 42.4107173 42.7783867 42.8592484 42.9021433
43.0252059 43.1843764 43.2770413 43.4493790 43.5872084
43.6299998 43.8287708 44.0688218 44.1722267 44.2868571
44.3740560 44.6205781 44.7747299 44.9610932 45.0055774
45.3496759 45.4113550 45.5507304 45.6999355 45.8580265
46.1009280 46.3710418 46.4761702 46.5736981 46.6860808
46.8935576 47.1219165 47.1790925 47.2684369 47.3572358
47.4246259 47.5166775 47.6752541 48.1256314 48.2439706
48.2578297 48.6479881 48.7656579 48.9761277 49.0493586
49.1925901 49.4683941 49.6002075 49.8277595 49.8766533
49.9618164 50.2039074 50.4337611 50.6018469 50.8246212
50.8374122 50.9914522 51.2178315 51.5121380 51.7028852
51.8321482 51.9143097 52.2034428 52.3580283 52.3705239
52.5322630 52.7390376 52.8426415 53.1418197 53.1926905
53.3167309 53.5172998 53.5962677 53.8565765 54.0829066
54.1434661 54.4889729 54.7529470 54.8241003 54.9890310
55.2202985 55.4197706 55.6575156 55.8406762 55.9489345
56.0703864 56.2860347 56.5951146 56.6987080 56.8967657
57.1351966 57.4634819 57.7647367 58.0052214 58.1131291
58.3005218 58.4712852 58.8500496 58.9553575 59.1188346
59.1921757 59.2964462 59.7282026 59.8319339 59.9711016
60.0899602 60.3751937 60.4794163 60.7973695 60.8228629
60.8855824 61.2372140 61.4237207 61.6325659 61.8095677
62.0317420 62.0940265 62.3211983 62.4027377 62.5447990
62.7138588 62.9645061 63.0750673 63.2303198 63.9466972
63.9762370 64.1243079 64.3965478 64.6942422 64.8398506
64.9576612 65.4541327 65.4894008 65.8090366 65.9272851
66.1739254 66.2535902 66.3211261 66.5062684 66.6033947
66.7331845 66.9667029 67.1340429 67.1557857 67.6015985
67.7559735 68.0174656 68.3354175 68.5231990 68.6743706
68.8388147 69.0348318 69.2476375 69.6233112 69.8351261
70.1590507 70.2461942 70.4094852 70.5813835 70.8986819
71.0030783 71.2709655 71.7708668 71.8161708 71.9549766
72.1033782 72.5212715 72.6172263 72.8422030 72.9280949
73.2897800 73.4935921 73.5872256 73.8019911 73.8524817
73.8892679 74.0387797 74.2845038 74.4375814 74.6092401
74.6679564 74.9227643 75.0596979 75.1707872 75.4158812
75.7427742 75.8825312 76.2778545 76.5309762 76.7107693
77.0270558 77.3034357 77.6919236 77.7290283 77.8765436
78.1120300 78.2709782 78.5973897 78.7354996 78.9973535
79.1929053 79.2926940 79.5364512 79.6877196 79.8032768
79.8799794 80.2735279 80.4050417 81.1661279 81.1938010
81.5118915 81.5460370 81.9122416 82.2932835 82.5693783
82.7654425 83.0111371 83.1255502 83.3035321 83.7031742
83.9660657 84.2607776 84.2857396 84.5596349 84.8078327
84.9603828 85.5287787 85.8486558 86.0401224 86.0680792
86.5019251 86.5997936 87.0216944 87.2116171 87.6612045
87.8678655 87.9552201 88.3335777 88.5865332 88.6993941
88.7749111 89.3224527 89.3681626 89.5943335 89.6373204
90.1454164 90.5611082 90.6788798 90.7051489 91.0942473
91.3974065 91.5761155 92.0484956 92.2920121 92.7780808
93.2104797 93.3907775 93.6853264 93.9517913 94.1123205
94.4673073 94.9807039 95.1028924 95.5985392 95.8234300
96.0190364 96.5836650 97.1774975 97.4704528 97.7500221
98.2856585 98.3313157 98.7823505 99.1499490 99.4496927
99.5399596 100.1834419 100.7324940 100.9557110 101.3862493
101.7641200 101.8746584 102.3710713 102.6564058 102.8235096
103.3484549 103.8511093 103.9700958 104.2043333 104.2663006
104.5526948 104.8810268 105.2597493 105.7698828 105.7954330
106.3705622 106.5709015 107.0245670 107.4204839 107.9129325
108.3064054 108.6264313 108.7039789 109.0079524 110.0416316
110.1485120 110.7818967 110.9603470 111.6326352 112.3361016
112.6345071 112.8477148 113.5239075 113.6325311 114.3180898
114.3845371 114.5303374 114.8286979 115.0727461 115.6940137
116.1975740 116.8698797 117.8538790 118.4849533 118.5543576
119.5154825 120.0203157 121.0207175 121.2965389 121.4468520
122.4386051 122.8503995 123.1843800 123.6753652 125.0046963
125.6657525 126.3857723 127.1338096 127.8558259 127.9406185
129.4893217 129.7598279 130.2005065 131.3830107 131.5348175
132.6424678 132.8361987 133.7173665 134.8924768 135.3923086
136.3156648 136.8966199 137.2637017 138.0507148 138.4843907
139.3466464 140.9831135 142.4968865 144.9457813 145.6272853
147.3045778 149.5121031 152.3382045 152.9861338 155.0438400
159.2599250 160.8446744 166.3102130 173.7452735
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034270 0.0034288 0.0034349 0.0034400 0.0034498
0.0034596 77.4754244 83.9146604 100.6663349 103.8980575
112.4240469 131.6209357 135.5541584 150.1717565 153.2230162
162.3488240 170.6904586 172.7298850 175.5022733 181.7673579
186.6468926 197.5161517 203.5849330 213.6223957 216.7983911
217.2414672 226.4679941 232.0213988 234.8746421 240.3070522
247.1276043 252.2564724 257.9297249 259.3699475 265.0641654
267.1937030 277.5872300 281.7454064 285.0699455 290.3841361
292.1796369 298.3088920 302.7936606 303.5638245 309.9559135
319.2272487 322.0401533 327.6910382 332.0745590 333.4631089
335.5500040 341.5578750 343.0476107 347.8053025 350.6077046
356.9372584 359.0520775 360.5528774 363.1217459 366.6653142
369.0446527 371.7352791 373.1108290 377.5239201 383.2415110
390.4919935 392.8872176 396.6783543 396.8787829 403.5101982
406.0302860 408.3837680 412.8493732 415.4777855 416.2577987
417.8912051 423.2179365 428.6808099 430.6129554 434.1751030
436.7272241 438.0484649 440.6869675 442.7880362 447.6229919
451.8447556 455.0030504 455.9807763 459.0956047 461.7161913
465.0190822 467.0397428 469.9607724 470.5346936 474.1826915
474.6307097 481.0077955 482.7926915 483.4539960 486.3458373
489.0655772 490.5121471 494.8774002 495.3990749 498.7511153
500.2225378 506.1481808 507.1591882 509.0316893 513.7518455
515.1570179 515.9008014 519.8786819 521.2417621 523.4809164
526.3211842 528.7178541 529.3963164 530.2458064 534.3824686
537.2117315 539.7031998 542.3518914 543.1663225 545.7544535
546.7644827 547.5909517 549.5578268 551.8714454 553.6007701
556.1885153 557.4929351 559.4796171 562.7981818 564.0435544
566.0199716 569.1311413 569.7595793 572.0321206 573.5058343
574.2062784 575.4356167 579.3038824 581.7260566 583.9935361
585.2772152 586.7427168 589.0563949 589.8763576 591.6614150
594.6169447 595.2310904 596.4459604 599.6356818 600.2728592
601.4643811 602.1509754 604.4472585 605.8143296 606.1788012
608.5880820 611.0568262 612.3165693 613.5881317 616.0078263
617.8892990 619.4376617 621.4129013 624.8967679 626.0251869
627.0848411 628.3824106 629.0229827 630.9379244 632.8935993
635.3493160 636.0307893 636.1501409 637.6561979 639.7441567
643.0336168 643.9536803 645.2461710 645.7341175 646.1484646
649.0808769 652.2659041 653.6213501 653.8540546 656.3535535
657.2714780 659.0016687 660.4104954 661.9496297 662.7308867
665.2476266 666.7116100 667.6072783 670.0844977 671.1880071
672.7951198 674.3009265 675.7300753 675.9487972 678.4005393
678.6242634 681.3081580 682.1964969 683.9866058 684.3613502
686.2351810 687.9671069 688.1006208 689.5356796 691.1010492
693.3441656 693.8926992 695.6760970 696.5720212 697.4515711
699.4543703 699.8351186 701.8972410 702.6861836 704.4454048
706.2599948 707.1850794 710.2438493 710.9147997 711.2704643
712.2898553 713.6061865 714.3714031 715.7923742 716.9267875
717.2786195 718.9106636 720.8767194 721.7219705 722.6578271
723.3689182 725.3754892 726.6273956 728.1380249 728.4981429
731.2777740 731.7749027 732.8970147 734.0963651 735.3650089
737.3099825 739.4668457 740.3045987 741.0809377 741.9745152
743.6213863 745.4298043 745.8819057 746.5878202 747.2887644
747.8202779 748.5456882 749.7937022 753.3269434 754.2525767
754.3609063 757.4042233 758.3196753 759.9543450 760.5222891
761.6318991 763.7640037 764.7808891 766.5331827 766.9091737
767.5636328 769.4210088 771.1803562 772.4643834 774.1629012
774.2603113 775.4324486 777.1518297 779.3814555 780.8231295
781.7985934 782.4179801 784.5937656 785.7545817 785.8483393
787.0608954 788.6083666 789.3825826 791.6140451 791.9928464
792.9157355 794.4057459 794.9916260 796.9198635 798.5926199
799.0396079 801.5850175 803.5243275 804.0462611 805.2547840
806.9463380 808.4024896 810.1346142 811.4665355 812.2527496
813.1338764 814.6960439 816.9298253 817.6771502 819.1040437
820.8185136 823.1732500 825.3281901 827.0443984 827.8133205
829.1469377 830.3603442 833.0454506 833.7904547 834.9456614
835.4634056 836.1989411 839.2377350 839.9661805 840.9424839
841.7754166 843.7709103 844.4988761 846.7158214 846.8933240
847.3298626 849.7731261 851.0661951 852.5118108 853.7350925
855.2680901 855.6973590 857.2612201 857.8218454 858.7977166
859.9576063 861.6743806 862.4305686 863.4913062 868.3690570
868.5696022 869.5741596 871.4180943 873.4299814 874.4123502
875.2063705 878.5446055 878.7812632 880.9231981 881.7142832
883.3620327 883.8935993 884.3439851 885.5774937 886.2239096
887.0869803 888.6377096 889.7473047 889.8913754 892.8402550
893.8591186 895.5823030 897.6730903 898.9056188 899.8966271
900.9734065 902.2552458 903.6448146 906.0926704 907.4699255
909.5721040 910.1368113 911.1940279 912.3056486 914.3539828
915.0269156 916.7514414 919.9609139 920.2512218 921.1401201
922.0895215 924.7577616 925.3693451 926.8016885 927.3479466
929.6446820 930.9364125 931.5292472 932.8875981 933.2066550
933.4390424 934.3829526 935.9322099 936.8960480 937.9757026
938.3447160 939.9444255 940.8029846 941.4989268 943.0325546
945.0741494 945.9456510 948.4064847 949.9787853 951.0940164
953.0527289 954.7610171 957.1570830 957.3856191 958.2936585
959.7414293 960.7174099 962.7185537 963.5640184 965.1649703
966.3588274 966.9674763 968.4526348 969.3731354 970.0757368
970.5418172 972.9296869 973.7263466 978.3239700 978.4907324
980.4055609 980.6108860 982.8102692 985.0935509 986.7446665
987.9155036 989.3807625 990.0623529 991.1217079 993.4962772
995.0552202 996.7999594 996.9475979 998.5661266 1000.0305387
1000.9295490 1004.2721416 1006.1483750 1007.2697465 1007.4333780
1009.9692859 1010.5404653 1012.9990729 1014.1038931 1016.7144526
1017.9121978 1018.4180554 1020.6061729 1022.0664520 1022.7173102
1023.1525790 1026.3030042 1026.5655710 1027.8637542 1028.1103065
1031.0200353 1033.3944969 1034.0662252 1034.2159958 1036.4318634
1038.1550396 1039.1694943 1041.8462380 1043.2234420 1045.9669751
1048.4015436 1049.4150197 1051.0686128 1052.5623051 1053.4611427
1055.4460734 1058.3101765 1058.9906921 1061.7466719 1062.9947910
1064.0791948 1067.2032054 1070.4789598 1072.0913006 1073.6277113
1076.5652470 1076.8152694 1079.2820598 1081.2883601 1082.9215669
1083.4129198 1086.9091739 1089.8834896 1091.0903786 1093.4144496
1095.4501544 1096.0449442 1098.7120924 1100.2422236 1101.1373451
1103.9445872 1106.6259505 1107.2597225 1108.5063109 1108.8358599
1110.3576673 1112.0997563 1114.1058278 1116.8022800 1116.9371614
1119.9690147 1121.0231986 1123.4067267 1125.4827227 1128.0595523
1130.1142505 1131.7826611 1132.1865744 1133.7684597 1139.1313151
1139.6843840 1142.9564389 1143.8766197 1147.3366549 1150.9460177
1152.4736690 1153.5639216 1157.0148840 1157.5682876 1161.0549109
1161.3922931 1162.1322419 1163.6449801 1164.8808853 1168.0211970
1170.5603538 1173.9418331 1178.8735427 1182.0255965 1182.3717400
1187.1548329 1189.6594606 1194.6072386 1195.9677939 1196.7085981
1201.5849134 1203.6038461 1205.2387912 1207.6383080 1214.1111425
1217.3171721 1220.7995868 1224.4070197 1227.8789133 1228.2860042
1235.6977568 1236.9877841 1239.0864764 1244.7005607 1245.4194491
1250.6522736 1251.5652600 1255.7095224 1261.2150507 1263.5495489
1267.8508414 1270.5496557 1272.2519745 1275.8940440 1277.8965351
1281.8686927 1289.3737641 1296.2774555 1307.3686606 1310.4385400
1317.9635582 1327.8024189 1340.2928371 1343.1400989 1352.1427329
1370.4037354 1377.2051030 1400.4085064 1431.3695688
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240414135517111621.eigenfacs
Openam> file on opening on unit 10:
240414135517111621.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240414135517111621.atom
Openam> file on opening on unit 11:
240414135517111621.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 = 195
First residue number = 96
Last residue number = 401
Number of atoms found = 198
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9597E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9702E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0035E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0093E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0150E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5090
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8594
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9154
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.072
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.469
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.912
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.991
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.235
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.530
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.612
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.802
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.308
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.515
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.870
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.986
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.002
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.349
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.565
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.678
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.897
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.179
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.396
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.642
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.705
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.054
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.534
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.732
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.891
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.151
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.240
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.546
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.815
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.147
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.642
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.106
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.351
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.430
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.548
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.980
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 11.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 13.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.22
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 594 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.509000
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= 0.615 for 197 C-alpha atoms.
Bfactors> = 1.605 +/- 2.54
Bfactors> = 41.035 +/- 12.57
Bfactors> Shiftng-fct= 39.430
Bfactors> Scaling-fct= 4.940
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240414135517111621 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=0
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=100
240414135517111621.eigenfacs
240414135517111621.atom
making animated gifs
11 models are in 240414135517111621.7.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 240414135517111621.7.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 240414135517111621.7.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 240414135517111621 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=0
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=100
240414135517111621.eigenfacs
240414135517111621.atom
making animated gifs
11 models are in 240414135517111621.8.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 240414135517111621.8.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 240414135517111621.8.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 240414135517111621 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=0
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=100
240414135517111621.eigenfacs
240414135517111621.atom
making animated gifs
11 models are in 240414135517111621.9.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 240414135517111621.9.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 240414135517111621.9.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 240414135517111621 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=0
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=100
240414135517111621.eigenfacs
240414135517111621.atom
making animated gifs
11 models are in 240414135517111621.10.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 240414135517111621.10.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 240414135517111621.10.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 240414135517111621 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=0
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=100
240414135517111621.eigenfacs
240414135517111621.atom
making animated gifs
11 models are in 240414135517111621.11.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 240414135517111621.11.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 240414135517111621.11.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 240414135517111621 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=0
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=100
240414135517111621.eigenfacs
240414135517111621.atom
making animated gifs
11 models are in 240414135517111621.12.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 240414135517111621.12.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 240414135517111621.12.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 240414135517111621 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=0
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=100
240414135517111621.eigenfacs
240414135517111621.atom
making animated gifs
11 models are in 240414135517111621.13.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 240414135517111621.13.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 240414135517111621.13.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 240414135517111621 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=0
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=100
240414135517111621.eigenfacs
240414135517111621.atom
making animated gifs
11 models are in 240414135517111621.14.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 240414135517111621.14.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 240414135517111621.14.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 240414135517111621 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=0
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=100
240414135517111621.eigenfacs
240414135517111621.atom
making animated gifs
11 models are in 240414135517111621.15.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 240414135517111621.15.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 240414135517111621.15.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 240414135517111621 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=-20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=0
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=20
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=40
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=60
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=80
240414135517111621.eigenfacs
240414135517111621.atom
calculating perturbed structure for DQ=100
240414135517111621.eigenfacs
240414135517111621.atom
making animated gifs
11 models are in 240414135517111621.16.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 240414135517111621.16.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 240414135517111621.16.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
240414135517111621.10.pdb
240414135517111621.11.pdb
240414135517111621.12.pdb
240414135517111621.13.pdb
240414135517111621.14.pdb
240414135517111621.15.pdb
240414135517111621.16.pdb
240414135517111621.7.pdb
240414135517111621.8.pdb
240414135517111621.9.pdb
STDERR:
real 0m3.121s
user 0m3.117s
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: 240414135517111621.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
|
