*** ***
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 = 2404111304113650248.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 2404111304113650248.atom to be opened.
Openam> File opened: 2404111304113650248.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 = 194
First residue number = 96
Last residue number = 289
Number of atoms found = 194
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.651799 +/- 9.289562 From: -18.713000 To: 21.675000
= 0.234634 +/- 7.615043 From: -19.122000 To: 16.223000
= 31.392763 +/- 10.813497 From: 11.966000 To: 53.399000
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 9.3968 % Filled.
Pdbmat> 15942 non-zero elements.
Pdbmat> 1642 atom-atom interactions.
Pdbmat> Number per atom= 16.93 +/- 5.13
Maximum number = 28
Minimum number = 6
Pdbmat> Matrix trace = 32840.0
Pdbmat> Larger element = 111.985
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 194 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) = 582
Diagstd> Number of non-zero elements 15942
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 32840.0000006
%Diagstd-Wn: Nb on non-zero elements there: 582
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 582 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 32840.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.4903416 0.5913477 0.8650738 0.9265390
1.0258940 1.4610722 1.5174191 1.8401249 1.9686543
2.2140650 2.3174373 2.4467368 2.6748410 2.8954929
2.9642585 3.2642687 3.4464678 3.8684573 3.9298096
4.1649119 4.2831733 4.5309758 4.8989589 5.0200817
5.1463789 5.2944583 5.4317191 5.8023613 5.9369532
6.3325544 6.5107023 6.5807294 6.6806189 6.8235746
7.1087819 7.3861789 7.8963633 8.0196457 8.0703745
8.1248339 8.5016952 8.8516912 9.0456225 9.2267283
9.4499242 9.6718608 9.7236846 9.9618281 10.0437497
10.4559886 10.5206744 10.8406950 11.1012111 11.1414006
11.4020561 11.4616772 11.9899029 12.1885474 12.4411812
12.9815149 13.1223775 13.2080885 13.3268553 13.5408019
14.2093485 14.2819781 14.3651768 14.5617059 14.7528690
14.9914205 15.0514376 15.5763481 15.7179232 15.9389919
16.0623400 16.3179429 16.4543129 16.7098524 16.7910186
17.2019451 17.3947385 17.6326236 17.7848681 17.9275851
18.1599490 18.2783652 18.3400909 18.5819395 18.6639568
18.9009717 19.0733135 19.3941974 19.4719407 19.7592148
19.8531290 20.1359296 20.3592775 20.4051746 20.6440174
20.8809010 21.2057683 21.3255873 21.5125230 21.7168225
21.8418920 22.0202562 22.5018643 22.7477041 22.8847005
22.9592194 23.2532125 23.4614494 23.6091192 23.7111869
23.9660351 24.1479712 24.2277598 24.4835493 24.6311461
24.8344587 24.9616742 25.2087007 25.4421199 25.7242713
26.0505023 26.2428620 26.3373093 26.4538654 26.5798470
26.8217281 26.9554337 27.1713596 27.2573874 27.4793868
27.7209072 27.7889616 28.1728924 28.3232071 28.4498085
28.5188498 28.6630096 28.7461033 28.9230815 29.0725071
29.2099764 29.3749318 29.5844460 29.6998239 29.8658495
30.0246790 30.1969636 30.3449503 30.4920614 30.6676246
30.8567589 30.9042027 31.0628890 31.1834025 31.5136515
31.7230731 31.9289899 32.0574427 32.3057964 32.4304545
32.7111551 32.7695913 33.1055342 33.1779259 33.4436156
33.4515846 33.6423343 33.8513399 33.9165266 34.0398813
34.2985419 34.5527221 34.7114538 34.7271120 34.8550184
34.9507046 35.0792627 35.2302028 35.4608892 35.6977434
35.7852203 35.9320800 36.1299883 36.2043193 36.4494707
36.6250890 36.7879501 36.9081785 37.0040983 37.1348596
37.2169492 37.4594988 37.5923832 37.9321876 38.1667311
38.2706293 38.4948607 38.6071708 38.7309959 38.8418590
39.0136161 39.1450640 39.2370245 39.4091164 39.4859587
39.7472102 39.8083015 39.8993639 39.9799114 40.1549803
40.3092306 40.3276531 40.5527713 40.7406054 40.8656239
41.0220448 41.1680408 41.2396572 41.4061763 41.5996079
41.7038893 41.9457841 42.0610863 42.1963694 42.5675678
42.6673399 42.7081872 42.8699359 43.0467080 43.1286718
43.3167037 43.6275718 43.6973394 43.8910415 44.0728470
44.2060031 44.3764540 44.4933892 44.6162142 44.7842866
44.9103752 45.0035821 45.1164199 45.2584838 45.4147392
45.4882944 45.6471213 45.8678021 45.8875566 46.0854693
46.1974970 46.3288448 46.4741955 46.7406655 46.9801816
47.1280401 47.3123734 47.3465992 47.5502187 47.6050166
47.7850260 48.0963998 48.2888643 48.5118156 48.6993284
48.7778664 49.1132099 49.1688086 49.2376165 49.3921479
49.4653983 49.6550879 49.8116958 50.0443806 50.3228624
50.4856875 50.6365164 51.0833425 51.1633888 51.3350870
51.6425138 51.6842231 52.1097038 52.1526227 52.2486531
52.3238779 52.4670377 52.8079285 52.9686565 53.0284147
53.4971325 53.5359078 53.6222488 53.8087796 54.1087672
54.3899678 54.4707098 54.7538742 55.0749236 55.1768930
55.4383618 55.5998749 55.8230455 55.8803383 56.0557439
56.2027454 56.4263746 56.5364956 56.8571699 57.1040182
57.2069280 57.2356170 57.5475524 57.6522166 57.9942410
58.2157697 58.4141573 58.6002030 58.6113876 59.0545643
59.0771812 59.2368989 59.5153148 59.6218037 59.8628829
60.0136889 60.0797974 60.2826230 60.4990099 60.6543390
60.7024804 60.8699400 61.0532209 61.2435775 61.3700373
61.6188581 61.8050487 61.9986401 62.1486712 62.2791803
62.5542100 62.6835388 63.0969098 63.2133814 63.3692117
63.5139818 63.6631258 63.8435394 64.0847405 64.4510568
64.6811466 64.8554011 64.9722084 65.1273471 65.5544706
65.6828950 66.1602650 66.3583425 66.4588352 66.7741638
66.9222180 67.0426250 67.2384236 67.2810638 67.5298059
67.5819383 67.8586709 68.2323713 68.3906110 68.5704413
68.7111117 68.9254570 69.1861970 69.2576621 69.4228170
69.5656883 69.9262314 70.0319463 70.3720185 70.4983218
70.7523824 70.8500511 71.0968746 71.2255608 71.6347413
71.7026557 71.7718627 72.1850699 72.3373931 72.5432218
72.6573923 72.7483538 73.1729537 73.3121004 73.4256844
73.6953329 74.0994165 74.2370359 74.4688782 74.7232086
74.8614830 75.0839244 75.2856918 75.5742372 75.7109382
76.1854115 76.5039171 76.5486415 76.7139178 76.9916188
77.0899795 77.4792887 77.7474453 77.9175022 78.1406913
78.3390316 78.5353317 78.9370625 79.2166000 79.5076810
79.5783936 79.7263050 80.0763266 80.2422469 80.4069598
80.9390082 81.1624595 81.5031331 81.7270117 81.8881260
82.0332831 82.1161720 82.1777393 82.5280579 82.7828012
83.0103273 83.4816564 83.6480304 83.7332106 83.8171821
84.1350629 84.2660899 84.6267754 84.8974515 85.0716171
85.6507314 85.8347389 86.0849857 86.3651100 86.8004052
87.1003215 87.1379233 87.1929565 87.4679500 87.9356279
88.0706170 88.1759067 88.4363137 88.6958559 88.9514501
89.2681283 89.7042158 90.0931924 90.3613173 90.5462866
90.6731203 90.9068343 91.1046997 91.3554401 91.7393635
92.2487401 92.9230856 93.0569583 93.4352582 93.6993059
93.7406211 94.1878045 94.6137596 95.1984110 95.5618778
95.8873975 96.1651241 96.5132298 96.7635172 96.9379308
97.7466015 97.8885840 97.9957267 98.3810756 98.7182424
98.8333412 98.9561663 99.6120412 99.9740054 99.9955085
100.5112733 100.7881765 101.2165765 101.5652931 101.6526663
102.0572385 102.6084028 102.9301889 103.5768242 104.6516046
104.8004490 105.2131228 105.5085137 105.7379647 105.8727740
106.4704670 107.0084402 107.2002267 107.4286603 108.2366903
108.7283628 109.0995103 109.9635998 110.0393685 110.4614067
110.9607872 111.3202654 112.1011028 112.8220918 113.2102388
113.6528199 114.0150460 114.4759505 114.5777458 115.1744164
115.5786335 116.3558641 116.7827598 117.7742539 118.0481988
118.3981077 119.0338073 119.2404448 120.0418286 120.6447625
121.0872434 121.8593329 122.9472174 123.2289208 123.8739984
124.6127988 125.6496871 125.9872976 127.5833898 128.1690165
128.5154563 129.6303408 130.1887340 131.4846553 132.1471816
133.1363465 134.4601490 134.8629102 135.2403329 135.9895297
136.7434201 138.2063212 139.4626411 141.2455714 141.4776846
143.2362315 143.7076112 145.0991406 148.4701322 151.6480478
154.3117287 161.4488106
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034163 0.0034225 0.0034274 0.0034396 0.0034431
0.0034504 76.0404444 83.5058196 101.0001135 104.5266723
109.9883093 131.2596109 133.7667114 147.3054890 152.3631721
161.5810651 165.3100559 169.8591346 177.6005334 184.7806672
186.9619884 196.1951339 201.5962226 213.5817715 215.2687724
221.6145097 224.7388235 231.1485372 240.3516895 243.3047973
246.3463654 249.8653565 253.0835580 261.5758609 264.5922346
273.2654621 277.0825659 278.5686860 280.6749332 283.6620599
289.5295372 295.1244503 305.1468138 307.5196496 308.4907339
309.5298424 316.6270735 323.0787604 326.5987439 329.8520185
333.8177633 337.7149606 338.6185234 342.7400069 344.1463915
351.1379999 352.2224797 357.5393474 361.8099121 362.4642479
366.6796994 367.6371305 376.0132197 379.1152508 383.0240890
391.2532592 393.3702787 394.6528706 396.4232540 399.5926331
409.3382821 410.3830936 411.5766876 414.3825010 417.0935969
420.4522428 421.2930274 428.5762513 430.5195337 433.5365379
435.2108240 438.6599499 440.4890892 443.8963629 444.9731457
450.3851465 452.9019934 455.9883516 457.9526800 459.7864588
462.7565695 464.2628743 465.0461162 468.1023287 469.1342504
472.1036374 474.2511076 478.2237998 479.1813419 482.7031367
483.8489048 487.2828453 489.9778657 490.5298475 493.3923237
496.2150103 500.0601959 501.4709509 503.6640513 506.0499905
507.5050963 509.5730646 515.1153969 517.9216502 519.4788818
520.3239779 523.6447586 525.9842010 527.6369154 528.7762339
531.6102870 533.6243086 534.5051701 537.3193348 538.9364908
541.1561890 542.5404650 545.2184092 547.7368090 550.7656171
554.2469747 556.2895207 557.2896562 558.5214416 559.8497886
562.3913838 563.7913941 566.0450085 566.9403838 569.2444417
571.7405564 572.4419328 576.3827819 577.9183636 579.2085364
579.9109150 581.3747617 582.2168508 584.0063383 585.5129739
586.8956400 588.5504737 590.6456380 591.7962618 593.4480622
595.0239776 596.7286892 598.1891002 599.6373458 601.3611252
603.2126404 603.6761973 605.2240856 606.3969806 609.5995591
611.6217291 613.6035591 614.8366074 617.2136276 618.4032994
621.0738168 621.6283218 624.8065598 625.4893172 627.9887904
628.0636052 629.8517512 631.8052237 632.4132563 633.5622589
635.9648444 638.3170043 639.7815063 639.9257911 641.1031906
641.9825863 643.1621953 644.5444184 646.6512047 648.8072021
649.6016624 650.9332549 652.7234127 653.3944984 655.6029409
657.1804336 658.6399580 659.7153458 660.5720493 661.7381511
662.4691592 664.6243699 665.8021753 668.8045592 670.8690596
671.7815651 673.7467086 674.7288323 675.8099977 676.7765212
678.2712102 679.4128928 680.2104710 681.7005258 682.3648131
684.6184616 685.1443873 685.9275815 686.6195958 688.1212808
689.4416792 689.5992085 691.5212803 693.1209396 694.1835968
695.5108874 696.7474373 697.3532089 698.7596907 700.3899388
701.2672542 703.2980911 704.2640547 705.3957243 708.4915882
709.3214025 709.6608533 711.0034321 712.4678181 713.1457892
714.6986811 717.2586609 717.8319390 719.4211866 720.9096405
721.9978514 723.3884634 724.3409267 725.3400177 726.7049365
727.7272242 728.4819943 729.3946864 730.5421538 731.8021696
732.3945551 733.6720546 735.4433834 735.6017383 737.1863540
738.0818118 739.1303164 740.2888710 742.4081418 744.3078951
745.4782375 746.9347204 747.2048378 748.8098343 749.2411828
750.6564030 753.0981223 754.6034315 756.3434407 757.8037781
758.4145916 761.0171427 761.4477769 761.9803836 763.1751776
763.7408768 765.2038700 766.4096138 768.1975887 770.3320167
771.5772562 772.7289629 776.1308270 776.7386776 778.0409070
780.3671290 780.6821989 783.8890223 784.2117717 784.9334376
785.4982863 786.5721268 789.1232626 790.3232511 790.7689393
794.2560513 794.5438415 795.1842909 796.5661578 798.7835268
800.8564565 801.4506723 803.5311311 805.8834406 806.6291290
808.5380722 809.7150054 811.3384230 811.7546661 813.0276962
814.0930472 815.7110660 816.5066441 818.8189772 820.5945245
821.3336071 821.5395290 823.7751918 824.5239692 826.9661151
828.5440485 829.9546033 831.2752313 831.3545573 834.4916877
834.6514705 835.7789669 837.7407625 838.4898997 840.1833951
841.2410208 841.7042302 843.1238039 844.6356614 845.7192529
846.0548101 847.2210099 848.4955528 849.8172767 850.6942041
852.4170014 853.7038831 855.0398624 856.0737964 856.9721815
858.8623243 859.7497009 862.5798832 863.3756406 864.4391596
865.4260233 866.4415276 867.6683540 869.3058364 871.7868255
873.3415756 874.5171986 875.3043655 876.3487558 879.2177305
880.0785240 883.2708509 884.5920769 885.2616339 887.3593080
888.3425066 889.1413043 890.4387304 890.7210277 892.3660331
892.7104158 894.5362716 896.9960128 898.0355351 899.2154342
900.1373195 901.5402221 903.2438432 903.7102200 904.7870923
905.7176341 908.0616649 908.7478121 910.9515611 911.7686796
913.4101101 914.0403421 915.6310994 916.4593763 919.0880697
919.5236441 919.9672967 922.6117278 923.5846517 924.8977015
925.6252300 926.2044547 928.9034446 929.7862328 930.5062232
932.2132527 934.7654980 935.6331313 937.0929837 938.6918266
939.5599442 940.9548001 942.2182306 944.0221106 944.8755134
947.8316116 949.8108282 950.0884183 951.1135344 952.8334735
953.4419262 955.8463649 957.4990331 958.5456294 959.9174904
961.1349715 962.3384124 964.7965919 966.5033853 968.2774631
968.7079508 969.6077960 971.7338943 972.7401032 973.7379606
976.9542344 978.3018615 980.3528871 981.6984156 982.6655849
983.5361494 984.0329211 984.4017455 986.4977357 988.0190979
989.3759368 992.1807784 993.1689649 993.6745165 994.1726427
996.0560834 996.8313810 998.9624798 1000.5587792 1001.5845679
1004.9878659 1006.0668183 1007.5323191 1009.1702648 1011.7102654
1013.4566093 1013.6753438 1013.9953935 1015.5931299 1018.3046215
1019.0859166 1019.6949001 1021.1995058 1022.6969124 1024.1694016
1025.9908668 1028.4938691 1030.7213414 1032.2539583 1033.3099288
1034.0333856 1035.3651611 1036.4913232 1037.9166702 1040.0953185
1042.9788509 1046.7840379 1047.5378082 1049.6649009 1051.1470288
1051.3787465 1053.8835294 1056.2638836 1059.5223688 1061.5430658
1063.3495364 1064.8883563 1066.8139964 1068.1963831 1069.1586473
1073.6089258 1074.3883822 1074.9762003 1077.0876924 1078.9317850
1079.5605827 1080.2311863 1083.8051244 1085.7724713 1085.8892330
1088.6860742 1090.1846784 1092.4991360 1094.3794850 1094.8501129
1097.0266722 1099.9849519 1101.7084111 1105.1636083 1110.8827577
1111.6724733 1113.8590448 1115.4215553 1116.6337588 1117.3453513
1120.4948372 1123.3220842 1124.3282739 1125.5255553 1129.7504738
1132.3135502 1134.2444968 1138.7273574 1139.1196012 1141.3019649
1143.8788889 1145.7302952 1149.7415403 1153.4329512 1155.4153516
1157.6716233 1159.5149800 1161.8562791 1162.3727421 1165.3953754
1167.4386250 1171.3573801 1173.5041977 1178.4752365 1179.8450170
1181.5923238 1184.7601624 1185.7880627 1189.7660754 1192.7502512
1194.9355352 1198.7391197 1204.0780304 1205.4566657 1208.6077042
1212.2064915 1217.2393572 1218.8735718 1226.5700294 1229.3818755
1231.0422589 1236.3704359 1239.0304575 1245.1819494 1248.3151254
1252.9784387 1259.1923436 1261.0768227 1262.8401926 1266.3332672
1269.8385262 1276.6129153 1282.4021071 1290.5733721 1291.6333562
1299.6359719 1301.7727176 1308.0601058 1323.1675086 1337.2533428
1348.9465710 1379.7890853
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404111304113650248.eigenfacs
Openam> file on opening on unit 10:
2404111304113650248.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404111304113650248.atom
Openam> file on opening on unit 11:
2404111304113650248.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 = 194
First residue number = 96
Last residue number = 289
Number of atoms found = 194
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: 9.8974E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9332E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9617E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0033E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0053E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0096E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4903
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5913
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8651
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9265
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.517
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.840
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.969
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.214
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.317
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.447
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.675
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.895
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.964
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.264
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.446
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.868
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.930
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.165
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.283
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.899
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.020
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.294
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.432
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.802
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.937
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.333
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.581
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.681
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.824
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.109
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.386
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.896
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.020
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.125
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.852
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.046
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.227
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.450
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.724
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 9.962
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 10.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 11.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.05
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: 15.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.39
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: 17.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 17.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 18.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 18.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 19.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 19.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 20.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 20.88
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 582 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 : 0.490300
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= 0.630 for 194 C-alpha atoms.
Bfactors> = 1.652 +/- 2.51
Bfactors> = 41.840 +/- 10.99
Bfactors> Shiftng-fct= 40.188
Bfactors> Scaling-fct= 4.386
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404111304113650248 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=0
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=100
2404111304113650248.eigenfacs
2404111304113650248.atom
making animated gifs
11 models are in 2404111304113650248.7.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 2404111304113650248.7.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 2404111304113650248.7.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 2404111304113650248 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=0
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=100
2404111304113650248.eigenfacs
2404111304113650248.atom
making animated gifs
11 models are in 2404111304113650248.8.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 2404111304113650248.8.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 2404111304113650248.8.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 2404111304113650248 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=0
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=100
2404111304113650248.eigenfacs
2404111304113650248.atom
making animated gifs
11 models are in 2404111304113650248.9.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 2404111304113650248.9.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 2404111304113650248.9.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 2404111304113650248 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=0
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=100
2404111304113650248.eigenfacs
2404111304113650248.atom
making animated gifs
11 models are in 2404111304113650248.10.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 2404111304113650248.10.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 2404111304113650248.10.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 2404111304113650248 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=0
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=100
2404111304113650248.eigenfacs
2404111304113650248.atom
making animated gifs
11 models are in 2404111304113650248.11.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 2404111304113650248.11.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 2404111304113650248.11.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 2404111304113650248 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=0
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=100
2404111304113650248.eigenfacs
2404111304113650248.atom
making animated gifs
11 models are in 2404111304113650248.12.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 2404111304113650248.12.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 2404111304113650248.12.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 2404111304113650248 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=0
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=100
2404111304113650248.eigenfacs
2404111304113650248.atom
making animated gifs
11 models are in 2404111304113650248.13.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 2404111304113650248.13.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 2404111304113650248.13.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 2404111304113650248 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=0
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=100
2404111304113650248.eigenfacs
2404111304113650248.atom
making animated gifs
11 models are in 2404111304113650248.14.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 2404111304113650248.14.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 2404111304113650248.14.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 2404111304113650248 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=0
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=100
2404111304113650248.eigenfacs
2404111304113650248.atom
making animated gifs
11 models are in 2404111304113650248.15.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 2404111304113650248.15.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 2404111304113650248.15.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 2404111304113650248 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=-20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=0
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=20
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=40
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=60
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=80
2404111304113650248.eigenfacs
2404111304113650248.atom
calculating perturbed structure for DQ=100
2404111304113650248.eigenfacs
2404111304113650248.atom
making animated gifs
11 models are in 2404111304113650248.16.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 2404111304113650248.16.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 2404111304113650248.16.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
2404111304113650248.10.pdb
2404111304113650248.11.pdb
2404111304113650248.12.pdb
2404111304113650248.13.pdb
2404111304113650248.14.pdb
2404111304113650248.15.pdb
2404111304113650248.16.pdb
2404111304113650248.7.pdb
2404111304113650248.8.pdb
2404111304113650248.9.pdb
STDERR:
real 0m2.803s
user 0m2.791s
sys 0m0.012s
../../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: 2404111304113650248.Chkmod.res: No such file or directory
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
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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