*** ***
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 = 2404140155524117470.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 2404140155524117470.atom to be opened.
Openam> File opened: 2404140155524117470.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 = 205
First residue number = 88
Last residue number = 292
Number of atoms found = 213
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 0.654239 +/- 8.914656 From: -22.499000 To: 20.356000
= 0.490624 +/- 8.921155 From: -22.297000 To: 20.234000
= -0.374761 +/- 10.700142 From: -18.370000 To: 22.385000
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 9.0953 % Filled.
Pdbmat> 18598 non-zero elements.
Pdbmat> 1925 atom-atom interactions.
Pdbmat> Number per atom= 18.08 +/- 6.09
Maximum number = 33
Minimum number = 3
Pdbmat> Matrix trace = 38500.0
Pdbmat> Larger element = 150.975
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 213 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) = 639
Diagstd> Number of non-zero elements 18598
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 38500.0000006
%Diagstd-Wn: Nb on non-zero elements there: 639
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 639 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 38500.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0825115 0.1896487 0.2807480 0.5505320
0.6139284 0.7283924 0.9003505 1.0575535 1.2482134
1.4563347 1.6396117 1.7266050 1.9102229 2.1348262
2.4798597 2.6998795 2.7273577 3.0445019 3.3722685
3.6546507 3.7823383 3.8274567 3.9382295 4.0603894
4.3863152 4.4366386 4.6233531 4.8537311 5.0775731
5.2890350 5.3624871 5.7176606 5.9673671 6.2302523
6.3250843 6.6734416 6.7705794 6.8956827 7.0421055
7.1792097 7.6777506 7.7916064 8.0823274 8.1872707
8.4711475 8.7770685 8.9063918 9.0850903 9.1829372
9.4649167 9.7078915 9.7762285 9.8140919 10.1932320
10.3793165 10.6102855 10.8797537 11.0793970 11.2122017
11.3714558 11.5534279 11.8918056 12.1522844 12.3332482
12.6785225 12.9250877 13.1110198 13.3743675 13.7180404
13.8430950 14.0434356 14.3306251 14.4586070 14.8123413
14.9688375 15.1131850 15.3279505 15.6545460 15.9451651
15.9978583 16.2039736 16.3974568 16.5535046 16.7046116
16.9559439 17.2405210 17.3259326 17.7058308 17.7994729
17.9511216 18.0333630 18.1596913 18.3557304 18.6877565
18.8643794 19.2517762 19.3550782 19.4833592 19.9194617
19.9968016 20.1581421 20.3839526 20.4758331 21.0156118
21.0920269 21.1873792 21.3686134 21.4166812 21.6521008
21.7724790 22.0438424 22.2415169 22.3415105 22.7258281
22.7930370 23.0319435 23.2834788 23.5044279 23.5682490
23.7344202 24.0891553 24.3394521 24.5906630 24.6337482
24.7568845 24.9827209 25.0610578 25.2897844 25.4594911
25.7295081 26.0063199 26.1029015 26.2638406 26.5954305
26.6794306 26.7545362 27.0547764 27.2468201 27.4020261
27.4851400 27.6796550 28.0535707 28.1786545 28.3464977
28.6112527 28.9112524 29.0090207 29.1424683 29.2680935
29.4054158 29.4861401 29.6010799 29.7597514 30.0401992
30.1872344 30.2161381 30.4198805 30.5264154 30.9555586
31.0007843 31.1194602 31.1704616 31.3329535 31.5917239
31.7935390 31.9448984 32.0663881 32.1787616 32.3637643
32.4284243 32.6658455 32.8719372 33.0086945 33.2493587
33.3395255 33.6248069 33.6882867 33.8049630 33.9840859
34.1754631 34.2611199 34.3566154 34.4704905 34.6518946
34.8656203 34.9611493 35.2669066 35.4160509 35.4995950
35.6315987 35.7813947 36.1417226 36.3865056 36.4581438
36.6078929 36.6345267 37.0107401 37.0973824 37.2789270
37.3897964 37.6206350 37.7302454 37.8790548 38.0708397
38.1654622 38.3183841 38.4123665 38.5654586 38.6866925
38.8667646 39.1890064 39.2508838 39.3637643 39.6024798
39.8345678 40.0188952 40.1108459 40.2634453 40.4629986
40.5993404 40.6816819 40.7777339 41.0477191 41.2073969
41.3698758 41.4243535 41.5330769 41.7460381 41.9081505
41.9992514 42.1636489 42.2511812 42.3770279 42.4435349
42.5980136 42.8042742 43.0127824 43.0884441 43.2478505
43.3676836 43.4680433 43.5710030 43.6540990 43.7330693
43.8465699 44.1080354 44.1369357 44.2429086 44.5862793
44.6354493 44.7258398 44.9643448 45.1509152 45.4430043
45.4939525 45.8372581 45.9972721 46.0464357 46.1397128
46.2193476 46.3748238 46.4679981 46.7053912 46.8261773
46.9694011 47.3028099 47.4290531 47.5393464 47.6214127
47.6486253 48.0914460 48.1626267 48.3128503 48.6100171
48.7836604 48.8517921 48.9590008 49.2318190 49.4528392
49.6068830 49.7057251 49.8614086 50.0601301 50.1992634
50.5035285 50.6108272 50.8191311 50.9890561 51.1266499
51.3067631 51.3181817 51.4409592 51.5477877 51.8231127
51.9266635 52.1141684 52.3913586 52.4992098 52.6184316
52.7942111 52.8541739 52.9286145 53.1809390 53.3243980
53.4852573 53.7626259 54.0201209 54.2180701 54.3359433
54.4896250 54.5688722 54.7109697 54.9070437 55.1890529
55.2536529 55.4519324 55.6576033 55.7763435 55.9226462
56.0205256 56.2796790 56.4413186 56.5735746 56.7256858
56.8473807 57.1970350 57.2359477 57.4614989 57.5866215
57.6986185 57.9393089 58.0899174 58.2255751 58.2740429
58.4438576 58.7250891 58.9814530 59.2855637 59.3028857
59.4507165 59.6070067 59.7339686 59.8461337 60.0510897
60.1941826 60.3047232 60.4788860 60.6248518 60.9777281
61.0249015 61.2226128 61.4612266 61.5337935 61.6964607
62.0233204 62.3117292 62.4027889 62.5885146 62.7789085
63.0112325 63.2875026 63.4439863 63.7803972 63.8741083
64.1556182 64.2844117 64.4526546 64.5831575 64.8693138
64.9229678 65.1761272 65.2376027 65.3804830 65.6541946
66.0486840 66.1267608 66.1917039 66.3623635 66.7609494
66.7635817 67.0348521 67.0904853 67.3801757 67.5652931
67.6170813 68.0028916 68.0869968 68.2036658 68.4622661
68.5948759 68.8716999 69.0201575 69.4005422 69.6406014
69.8850722 70.0304299 70.0679641 70.4134128 70.5134812
70.6173952 70.8053786 70.8512729 71.3157670 71.4545134
71.5370444 71.8987827 72.0662773 72.3605552 72.5208001
72.6643980 72.9568532 73.1327581 73.3268430 73.6272156
73.7031268 74.0258522 74.2113469 74.3458525 74.3980102
74.7805990 74.9750364 75.0477615 75.4276539 75.5967731
75.7221569 76.1480431 76.2473927 76.3260550 76.6204061
76.8304383 76.9060387 77.1399789 77.5087051 77.5391483
77.9106047 78.0229987 78.3252147 78.5063393 78.7640529
79.0038398 79.1287338 79.4864763 79.7686532 79.8938114
79.9713395 80.1393393 80.5487343 80.6859441 81.0052184
81.3091650 81.5718572 81.6414442 81.9153987 82.1174000
82.3204011 82.4455165 82.5804783 82.7474700 82.9412416
83.1482161 83.5119549 83.7009051 83.9034214 84.0147329
84.2514073 84.3606898 84.7114878 84.7963990 84.9216097
85.2331124 85.5774195 85.8852032 86.2412701 86.4128271
86.5332584 86.8157555 86.9680713 87.2835563 87.4249273
87.7154913 87.8955888 88.2333797 88.6234717 88.7653846
89.0602691 89.3968132 89.4298394 89.5521451 89.8657921
90.1104820 90.2368295 90.5495126 90.7778611 91.1878679
91.2390422 91.6284123 91.8422499 92.3231851 92.7922126
92.8680562 93.1358276 93.3361948 93.5458581 93.6524448
93.8812217 94.3098252 94.5654084 94.7239243 94.8589281
95.2534822 95.4417758 95.6919650 95.8867812 96.2046570
96.4188831 96.9205594 96.9895640 97.4177487 97.5169267
97.7443723 97.7932710 98.1448687 98.3279072 98.8209387
98.9747874 99.1708933 99.3662160 99.4961010 100.2550075
100.4590682 100.6169731 101.0666105 101.2000958 101.7185057
101.8990336 102.2953020 102.5669938 103.0243691 103.4339884
103.5239160 103.7452070 104.3010578 104.6745120 104.8391244
105.3455379 105.7351379 106.4574581 106.6268462 106.6547195
107.5631139 107.7344265 107.8204620 108.1969817 108.4038784
108.9161615 109.2778338 109.9702068 110.4911878 111.0391622
111.3937077 111.6310944 112.2003709 112.3907880 112.9444037
113.1387447 113.4115614 113.9911098 114.1919233 114.9792680
115.4004888 115.5504220 115.8286424 116.2701144 116.5120594
117.1124449 117.3797940 118.2935023 118.6222547 119.1722579
119.8136905 119.9448294 120.4732587 120.6667981 121.9072811
122.3220773 122.8226058 123.5162811 123.6962760 124.4859690
125.1479550 125.8295589 126.4828818 127.4991397 128.9006205
129.1395781 130.1797147 130.2248646 130.8580457 131.9924345
132.6930393 133.2906046 133.6620086 134.3516639 134.8983894
135.5394788 136.2208406 136.4581325 137.3164899 138.6220282
138.9548811 139.6281516 139.8668233 141.0282162 141.4399987
142.8091738 143.3541558 144.0126137 145.3168304 146.5441739
147.5765101 148.2150932 149.6653007 150.5081032 153.1076826
155.8435951 156.9380122 158.4181509 160.8031879 165.0120576
171.9626593 173.9256307 178.5757532 217.4441648
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034230 0.0034302 0.0034388 0.0034426 0.0034513
0.0034539 31.1926682 47.2900947 57.5378465 80.5724494
85.0852210 92.6782829 103.0388677 111.6725553 121.3220390
131.0466352 139.0483306 142.6894206 150.0850058 158.6633218
171.0050107 178.4298343 179.3355269 189.4756497 199.4143259
207.5956363 211.1910277 212.4469131 215.4992642 218.8160254
227.4286633 228.7295654 233.4929718 239.2396387 244.6940305
249.7373510 251.4655007 259.6596502 265.2690970 271.0491788
273.1042388 280.5241231 282.5583835 285.1569190 288.1685245
290.9602091 300.8931359 303.1159461 308.7191005 310.7168855
316.0577201 321.7140479 324.0754835 327.3104757 329.0683302
334.0824627 338.3434224 339.5321880 340.1890570 346.6979183
349.8482119 353.7193473 358.1828709 361.4542561 363.6141126
366.1873308 369.1056635 374.4718540 378.5508644 381.3590147
386.6603175 390.4019968 393.2000077 397.1292779 402.1993073
404.0283874 406.9414828 411.0814194 412.9129528 417.9334528
420.1354395 422.1563049 425.1452432 429.6506948 433.6204852
434.3363762 437.1254007 439.7273998 441.8147979 443.8267467
447.1531203 450.8898652 452.0053654 456.9339585 458.1406747
460.0881791 461.1408999 462.7532855 465.2443583 469.4332671
471.6464195 476.4646471 477.7412542 479.3218188 484.6565416
485.5965020 487.5515382 490.2746982 491.3784099 497.8130747
498.7173054 499.8433286 501.9765752 502.5408452 505.2953485
506.6980351 509.8458978 512.1267744 513.2766957 517.6725523
518.4374648 521.1473974 523.9854339 526.4657503 527.1800158
529.0352298 532.9740527 535.7358133 538.4934178 538.9649577
540.3103359 542.7691412 543.6194401 546.0945517 547.9237678
550.8216758 553.7767654 554.8041134 556.5118251 560.0138817
560.8975701 561.6865099 564.8293487 566.8304766 568.4426009
569.3040284 571.3149868 575.1608986 576.4417209 578.1559302
580.8496299 583.8869019 584.8733245 586.2170518 587.4792030
588.8557802 589.6634959 590.8116603 592.3930156 595.1777458
596.6325508 596.9181143 598.9271938 599.9750424 604.1775770
604.6187637 605.7749461 606.2711429 607.8493369 610.3542079
612.3006445 613.7564027 614.9223848 615.9989096 617.7671277
618.3839423 620.6435300 622.5982988 623.8920542 626.1623008
627.0107506 629.6876556 630.2817648 631.3722836 633.0428043
634.8227536 635.6178096 636.5030178 637.5569901 639.2323897
641.2006857 642.0785049 644.8800835 646.2422486 647.0040207
648.2058329 649.5669394 652.8294000 655.0364320 655.6809367
657.0261366 657.2651008 660.6313285 661.4041471 663.0205388
664.0057355 666.0523137 667.0219032 668.3359877 670.0257725
670.8579073 672.2005651 673.0244039 674.3642361 675.4233662
676.9934628 679.7941246 680.3305920 681.3081618 683.3708835
685.3703858 686.9542702 687.7430191 689.0500161 690.7554373
691.9182238 692.6195247 693.4367015 695.7285010 697.0803985
698.4533248 698.9130502 699.8296418 701.6215386 702.9825223
703.7461873 705.1221776 705.8537194 706.9041439 707.4586379
708.7449117 710.4587196 712.1870113 712.8131229 714.1304374
715.1191258 715.9460968 716.7935010 717.4766882 718.1253530
719.0566261 721.1973749 721.4336069 722.2991693 725.0966462
725.4963566 726.2305802 728.1643540 729.6734749 732.0298626
732.4401035 735.1984721 736.4806118 736.8740958 737.6200682
738.2563405 739.4970003 740.2395097 742.1279481 743.0869474
744.2224926 746.8592257 747.8551820 748.7242225 749.3701981
749.5842763 753.0593376 753.6164372 754.7908218 757.1085785
758.4596341 758.9890850 759.8214557 761.9355225 763.6439154
764.8323515 765.5939398 766.7919625 768.3184589 769.3854210
771.7135773 772.5329253 774.1210874 775.4142299 776.4597513
777.8262371 777.9127871 778.8428002 779.6510997 781.7304477
782.5110686 783.9226022 786.0046414 786.8132477 787.7061383
789.0207644 789.4687155 790.0244695 791.9053575 792.9727454
794.1678925 796.2244626 798.1289357 799.5899149 800.4586203
801.5898137 802.1724996 803.2162504 804.6542528 806.7180064
807.1900091 808.6370253 810.1352525 810.9989653 812.0619042
812.7722547 814.6500455 815.8190755 816.7743496 817.8716563
818.7484854 821.2625865 821.5419023 823.1590464 824.0547752
824.8557151 826.5743719 827.6479808 828.6138226 828.9586258
830.1655693 832.1605484 833.9749651 836.1222046 836.2443446
837.2859944 838.3858444 839.2782428 840.0658486 841.5031123
842.5051048 843.2783382 844.4951731 845.5136542 847.9708048
848.2987438 849.6718115 851.3259895 851.8284189 852.9535983
855.2100314 857.1960909 857.8221973 859.0977917 860.4034843
861.9940489 863.8816702 864.9490213 867.2391798 867.8760531
869.7864290 870.6590468 871.7976318 872.6797874 874.6109940
874.9726187 876.6768844 877.0902371 878.0501925 879.8862265
882.5257068 883.0471738 883.4806878 884.6188777 887.2715011
887.2889928 889.0897597 889.4586173 891.3768483 892.6004734
892.9424931 895.4863500 896.0399426 896.8073092 898.5058633
899.3756347 901.1885840 902.1593473 904.6419273 906.2051727
907.7943791 908.7379737 908.9814695 911.2194418 911.8667040
912.5383546 913.7521355 914.0482234 917.0395345 917.9311616
918.4611207 920.7803633 921.8522594 923.7325032 924.7547562
925.6698539 927.5307728 928.6482756 929.8797150 931.7823265
932.2625463 934.3013753 935.4712336 936.3186053 936.6469869
939.0522334 940.2722581 940.7281755 943.1061572 944.1628517
944.9455155 947.5991311 948.2170912 948.7060897 950.5336697
951.8355818 952.3037652 953.7510701 956.0277995 956.2155316
958.5032015 959.1943220 961.0502086 962.1607658 963.7387199
965.2045935 965.9672187 968.1483345 969.8652748 970.6258430
971.0966713 972.1161521 974.5960360 975.4257648 977.3537395
979.1856290 980.7661209 981.1843659 982.8292088 984.0402790
985.2558430 986.0042841 986.8109895 987.8082350 988.9641449
990.1973243 992.3608111 993.4828107 994.6839624 995.3435482
996.7445331 997.3907621 999.4623411 999.9631252 1000.7011276
1002.5347940 1004.5576692 1006.3625201 1008.4464748 1009.4490117
1010.1521882 1011.7997198 1012.6869175 1014.5220642 1015.3433298
1017.0292195 1018.0727661 1020.0271645 1022.2795184 1023.0976799
1024.7956699 1026.7301115 1026.9197485 1027.6217242 1029.4197199
1030.8202385 1031.5426627 1033.3283358 1034.6304432 1036.9643144
1037.2552439 1039.4661734 1040.6783927 1043.3996094 1046.0466319
1046.4740371 1047.9816283 1049.1083069 1050.2859645 1050.8841454
1052.1669274 1054.5659636 1055.9939535 1056.8786413 1057.6315235
1059.8287850 1060.8757833 1062.2653530 1063.3461189 1065.1072188
1066.2924359 1069.0628459 1069.4433486 1071.8014118 1072.3468568
1073.5966834 1073.8651946 1075.7939048 1076.7966065 1079.4928440
1080.3328180 1081.4025591 1082.4669766 1083.1742105 1087.2973191
1088.4033078 1089.2583664 1091.6894939 1092.4101886 1095.2046169
1096.1760597 1098.3054148 1099.7629729 1102.2123229 1104.4013172
1104.8813072 1106.0615646 1109.0206600 1111.0043327 1111.8775790
1114.5597434 1116.6188325 1120.4263822 1121.3174020 1121.4639541
1126.2296676 1127.1261671 1127.5761325 1129.5432199 1130.6226734
1133.2910104 1135.1710818 1138.7615664 1141.4558058 1144.2827958
1146.1081742 1147.3287373 1150.2504889 1151.2261298 1154.0580075
1155.0504621 1156.4422367 1159.3932599 1160.4140385 1164.4076500
1166.5385747 1167.2961368 1168.7005899 1170.9256785 1172.1433271
1175.1594684 1176.5000549 1181.0702366 1182.7102688 1185.4489712
1188.6349696 1189.2852859 1191.9021662 1192.8591735 1198.9749318
1201.0129885 1203.4676866 1206.8613633 1207.7403965 1211.5894481
1214.8066455 1218.1103054 1221.2685023 1226.1649778 1232.8856118
1234.0278522 1238.9875375 1239.2023762 1242.2113565 1247.5840100
1250.8906636 1253.7041091 1255.4495690 1258.6842706 1261.2426911
1264.2360959 1267.4097920 1268.5132035 1272.4965892 1278.5314182
1280.0654735 1283.1628416 1284.2590532 1289.5799926 1291.4613165
1297.6970983 1300.1708475 1303.1534154 1309.0409682 1314.5574135
1319.1795135 1322.0305647 1328.4825115 1332.2177675 1343.6735613
1355.6255931 1360.3772298 1366.7772777 1377.0274811 1394.9322666
1424.0077619 1432.1122965 1451.1306848 1601.2869309
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404140155524117470.eigenfacs
Openam> file on opening on unit 10:
2404140155524117470.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404140155524117470.atom
Openam> file on opening on unit 11:
2404140155524117470.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 = 205
First residue number = 88
Last residue number = 292
Number of atoms found = 213
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: 9.9362E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9780E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0028E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0050E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0101E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0116E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 8.2512E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1896
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2807
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5505
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6139
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7284
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9004
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.058
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.248
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.640
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.727
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 1.910
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.135
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.480
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.700
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.727
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.045
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.372
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.655
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 3.782
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 3.827
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 3.938
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.386
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.437
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 4.623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 4.854
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.078
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 5.289
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 5.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 5.718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 5.967
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.230
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.325
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 6.673
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 6.771
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 6.896
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 7.179
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 7.678
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 7.792
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 8.187
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 8.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 8.777
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 8.906
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 9.085
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 9.183
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 9.465
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 9.708
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 9.776
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 9.814
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 10.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 10.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 10.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 10.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 11.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 11.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 11.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 11.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 11.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 12.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 12.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 12.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 12.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 13.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 13.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 13.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 13.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 14.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 14.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 14.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 14.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 14.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 15.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 15.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 15.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 15.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 16.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 16.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 16.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 16.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 16.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 16.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 17.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 17.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 17.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 17.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 17.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 18.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 18.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 18.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 18.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 18.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 19.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 19.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 19.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 19.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 20.00
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 639 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 : 0.082512
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= 0.384 for 213 C-alpha atoms.
Bfactors> = 3.068 +/- 14.87
Bfactors> = 23.633 +/- 5.57
Bfactors> Shiftng-fct= 20.565
Bfactors> Scaling-fct= 0.374
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404140155524117470 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=0
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=100
2404140155524117470.eigenfacs
2404140155524117470.atom
making animated gifs
11 models are in 2404140155524117470.7.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 2404140155524117470.7.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 2404140155524117470.7.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 2404140155524117470 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=0
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=100
2404140155524117470.eigenfacs
2404140155524117470.atom
making animated gifs
11 models are in 2404140155524117470.8.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 2404140155524117470.8.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 2404140155524117470.8.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 2404140155524117470 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=0
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=100
2404140155524117470.eigenfacs
2404140155524117470.atom
making animated gifs
11 models are in 2404140155524117470.9.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 2404140155524117470.9.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 2404140155524117470.9.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 2404140155524117470 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=0
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=100
2404140155524117470.eigenfacs
2404140155524117470.atom
making animated gifs
11 models are in 2404140155524117470.10.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 2404140155524117470.10.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 2404140155524117470.10.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 2404140155524117470 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=0
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=100
2404140155524117470.eigenfacs
2404140155524117470.atom
making animated gifs
11 models are in 2404140155524117470.11.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 2404140155524117470.11.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 2404140155524117470.11.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 2404140155524117470 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=0
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=100
2404140155524117470.eigenfacs
2404140155524117470.atom
making animated gifs
11 models are in 2404140155524117470.12.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 2404140155524117470.12.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 2404140155524117470.12.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 2404140155524117470 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=0
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=100
2404140155524117470.eigenfacs
2404140155524117470.atom
making animated gifs
11 models are in 2404140155524117470.13.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 2404140155524117470.13.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 2404140155524117470.13.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 2404140155524117470 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=0
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=100
2404140155524117470.eigenfacs
2404140155524117470.atom
making animated gifs
11 models are in 2404140155524117470.14.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 2404140155524117470.14.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 2404140155524117470.14.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 2404140155524117470 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=0
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=100
2404140155524117470.eigenfacs
2404140155524117470.atom
making animated gifs
11 models are in 2404140155524117470.15.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 2404140155524117470.15.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 2404140155524117470.15.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 2404140155524117470 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=-20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=0
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=20
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=40
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=60
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=80
2404140155524117470.eigenfacs
2404140155524117470.atom
calculating perturbed structure for DQ=100
2404140155524117470.eigenfacs
2404140155524117470.atom
making animated gifs
11 models are in 2404140155524117470.16.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 2404140155524117470.16.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 2404140155524117470.16.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
2404140155524117470.10.pdb
2404140155524117470.11.pdb
2404140155524117470.12.pdb
2404140155524117470.13.pdb
2404140155524117470.14.pdb
2404140155524117470.15.pdb
2404140155524117470.16.pdb
2404140155524117470.7.pdb
2404140155524117470.8.pdb
2404140155524117470.9.pdb
STDERR:
real 0m3.725s
user 0m3.701s
sys 0m0.024s
../../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: 2404140155524117470.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
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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