*** ***
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 = 2404250425412446927.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 2404250425412446927.atom to be opened.
Openam> File opened: 2404250425412446927.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 183
First residue number = 96
Last residue number = 288
Number of atoms found = 191
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 33.615110 +/- 9.083603 From: 11.460000 To: 53.033000
= 27.826874 +/- 8.647224 From: 6.241000 To: 48.000000
= 97.849785 +/- 9.283235 From: 77.117000 To: 117.891000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.9975 % Filled.
Pdbmat> 16441 non-zero elements.
Pdbmat> 1700 atom-atom interactions.
Pdbmat> Number per atom= 17.80 +/- 5.98
Maximum number = 32
Minimum number = 6
Pdbmat> Matrix trace = 34000.0
Pdbmat> Larger element = 125.685
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 191 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 573
Diagstd> Number of non-zero elements 16441
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 34000.0000006
%Diagstd-Wn: Nb on non-zero elements there: 573
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 573 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 34000.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5573822 0.7210264 0.8851217 0.9132276
1.0831003 1.5341849 1.5650729 1.8148987 2.0110202
2.2174367 2.2977537 2.4157243 2.7723366 2.8654053
3.1129288 3.2488640 3.5549067 3.6600234 3.8608160
4.1046566 4.2492638 4.3995914 4.6738827 4.7587882
5.0465105 5.1713645 5.4216752 5.4973422 5.8924321
6.1040690 6.2253609 6.6003867 6.6515266 6.6903775
6.9647672 7.0472745 7.3471387 7.6129558 7.8747672
8.0611760 8.1378804 8.1898706 8.3624950 8.9949657
9.2425057 9.3929916 9.6716375 10.0247938 10.2594018
10.5137938 10.7958637 10.8343020 11.0808665 11.2685174
11.4424245 11.4802262 11.7471270 12.0015156 12.1266031
12.5552776 12.7977346 12.9085169 13.2264604 13.4818911
13.6060629 13.8851076 14.2827773 14.3583111 14.7272731
14.7821305 14.9652986 15.0968525 15.2920436 15.3418272
15.7302499 16.0639692 16.4400746 16.5894173 16.8404757
17.1284312 17.3415916 17.5318431 17.7520030 17.8229498
17.9209172 18.0422072 18.3744778 18.6770950 18.7567201
18.8303745 19.0732306 19.3503067 19.7897931 19.8515978
19.9777316 20.1547169 20.6040819 20.9894118 21.1412424
21.2580013 21.5475087 21.6767182 21.8535030 22.1081860
22.2772210 22.5944473 22.7909495 22.9294699 23.1314692
23.4811803 23.8679619 24.0027442 24.1414928 24.4555395
24.5943340 24.7927331 24.9690168 25.1851082 25.3415578
25.4994098 25.6713713 25.7670566 25.9284733 26.3218665
26.5072045 26.6459919 26.7889528 26.9400545 27.1316119
27.3829347 27.5740895 27.6881227 27.9188085 27.9697270
28.1399199 28.3607729 28.5439504 28.6431721 28.8235682
28.9529701 29.1442673 29.3135671 29.4677946 29.6448051
30.0206159 30.1697982 30.4061375 30.4725596 30.9029633
31.1212485 31.4107180 31.5182117 31.6102154 31.8872877
31.9351675 32.1344683 32.3709173 32.4131285 32.7443860
33.0570335 33.2254000 33.3533794 33.7128257 33.7332111
33.7979796 33.9747254 34.2098346 34.5043627 34.6555126
34.9353166 35.0054642 35.1274491 35.1664426 35.2208081
35.5088366 35.5805760 35.8671169 36.0465671 36.0699583
36.1457247 36.2946652 36.5040674 36.7312480 36.9701064
37.0708052 37.1970390 37.3667498 37.5972451 37.7242595
38.0524006 38.3041592 38.4815332 38.5629028 38.7465634
38.8267016 39.0892206 39.1773926 39.4359031 39.7674139
39.8998414 39.9879395 40.1535037 40.2678834 40.4469513
40.6891783 40.7650284 40.9856774 41.2088155 41.3469818
41.5377087 41.7006929 41.8632783 42.1246714 42.2664424
42.4058672 42.6510336 42.8246981 42.9715392 43.1452540
43.2409796 43.3457558 43.7252579 43.8856835 44.0800764
44.2793468 44.3516322 44.3993420 44.7055560 44.7191341
45.2015974 45.2901773 45.5010175 45.6971652 45.7072536
45.8988941 46.0809916 46.3390959 46.5723726 46.6553042
46.8747540 47.1961251 47.2740045 47.3966236 47.6814728
47.8210672 48.0097832 48.2101202 48.3352077 48.5613657
48.7921290 48.8130050 48.9054962 49.0271583 49.1027812
49.2377439 49.3225512 49.5823842 49.7536775 50.0220199
50.2066419 50.3337612 50.6925278 50.7923049 50.9304983
50.9442943 51.0711714 51.0966911 51.4590120 51.5853946
51.7884220 51.9272648 51.9683453 52.2276247 52.3448815
52.5467836 52.8096419 53.1264041 53.4093041 53.5108015
53.5969575 53.7182923 54.0397787 54.1321347 54.3025173
54.5319529 54.7431378 54.8873093 55.0181112 55.1553727
55.4127227 55.4638392 55.6360770 55.7730102 55.9188652
56.0774613 56.1813642 56.3272483 56.4936328 56.7950402
57.0215794 57.1588514 57.3716654 57.9110359 58.0231540
58.3482687 58.6434557 58.8270889 58.9890395 59.4407694
59.4994849 59.8997559 60.1446375 60.1849249 60.4171044
60.4627107 60.5787512 60.6102299 60.8084410 61.1759668
61.3677262 61.6575814 61.8838930 62.0146598 62.2457864
62.5226747 62.7161267 62.8713043 62.9494959 63.1945814
63.8846278 64.0013301 64.2476695 64.3004896 64.5662844
64.8259082 65.0528643 65.3107357 65.4460757 65.6730882
65.8214704 66.2302701 66.5034611 66.5880747 66.6178329
66.6776678 67.2308356 67.4645817 67.5736097 67.9724863
68.2073630 68.3007120 68.3965118 68.7966443 68.9828705
69.2028346 69.5035153 69.5862240 69.8939693 70.1119834
70.1819464 70.4457035 70.5408648 70.6506199 71.0814492
71.1209728 71.2067807 71.5661526 71.7530137 71.9538680
72.0469988 72.4366916 72.5091244 72.6649548 72.8960041
73.2505587 73.5579962 73.9343680 74.1430293 74.3746006
74.6704404 74.8614382 74.8996775 75.2303580 75.3776524
75.6245173 75.9547880 76.3570100 76.5419383 76.6239476
76.9177747 77.0995672 77.3059967 77.6350573 77.9438342
78.1799910 78.3878644 78.8251070 79.2176254 79.4405702
79.5345566 79.7391677 80.2694098 80.3964664 80.4822790
80.7696122 81.0820406 81.2674925 81.4731561 81.7897936
82.0256673 82.0599903 82.1887845 82.5006109 83.0177335
83.1969553 83.2866710 83.4397561 83.7443401 83.9298581
84.3403811 84.8307297 85.2377552 85.4003273 85.4611230
85.7667854 86.1195125 86.5323062 86.9242887 87.1859913
87.5907086 87.8695425 88.0835121 88.4288784 88.6856734
88.8738287 89.1372028 89.5140560 89.6674500 89.7700118
90.2045107 90.4622289 90.6458017 90.7719461 90.9892588
91.1425128 91.5267636 91.6469937 91.9339967 92.0867450
92.4887007 92.7677103 93.2368589 93.2748396 93.5268916
93.9688844 94.2535739 94.5510837 95.1130499 95.5889586
95.7852695 95.8691411 96.1753552 96.5265083 96.7423120
96.9213246 97.0853858 97.4937681 97.8654782 98.2509805
98.5167998 99.4218646 99.6308147 100.1482810 100.5893043
100.7945130 101.3630636 101.8723791 101.9296108 102.5272276
102.9920417 103.1056876 103.1740574 103.2813669 103.8968478
104.3827667 104.7748393 105.0944695 105.4518517 105.5969331
106.1207016 106.5983172 106.9152127 107.3166725 107.9050953
108.1571010 108.5928473 108.9508933 109.3171437 109.6034689
109.6701296 110.7696988 111.0814087 111.4382526 111.8117458
112.3979770 112.5152585 112.9326174 113.7007968 113.7520052
114.7237249 115.4013629 115.6458602 115.9326382 116.5730424
117.4061261 117.7517805 118.0169497 118.6397703 119.1938115
119.7978388 120.0053131 120.7546968 121.4470543 121.6210993
121.8620796 123.0708255 123.2212814 123.6535982 123.8014935
125.2898845 126.3781372 126.8335596 127.2361817 128.0494647
128.5863470 128.7137530 129.5755943 130.6938123 131.1142793
131.7114044 132.1880634 133.1568285 133.4955277 134.1027637
135.1965370 136.4301550 136.6633167 137.0322652 138.0662182
140.8208488 141.2003920 142.9273667 144.4043395 145.8087516
147.1194407 148.7365145 149.8147258 150.4992287 153.9221861
156.5534655 158.5197263 160.5387450 160.9307878 165.6185338
168.8919824 172.9378414 175.1549763
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034173 0.0034241 0.0034280 0.0034337 0.0034367
0.0034484 81.0721730 92.2084804 102.1637366 103.7731010
113.0133154 134.5036694 135.8509136 146.2923012 153.9938906
161.7040480 164.6065125 168.7792149 180.8082565 183.8181149
191.5931035 195.7316440 204.7431512 207.7481725 213.3707253
220.0055795 223.8474381 227.7725871 234.7654503 236.8882227
243.9444113 246.9436452 252.8494583 254.6077779 263.5982813
268.2903152 270.9427572 278.9844330 280.0631362 280.8798558
286.5817847 288.2742648 294.3434667 299.6207834 304.7292489
308.3148770 309.7782561 310.7662161 314.0242699 325.6829596
330.1339160 332.8106747 337.7110620 343.8214795 347.8214000
352.1072833 356.7992863 357.4339070 361.4782254 364.5261343
367.3282312 367.9344916 372.1869253 376.1952674 378.1506592
384.7764114 388.4738865 390.1516555 394.9272470 398.7224485
400.5544093 404.6410189 410.3945760 411.4783214 416.7316158
417.5070338 420.0857731 421.9281356 424.6469843 425.3376468
430.6883166 435.2328944 440.2984660 442.2937942 445.6279869
449.4217377 452.2095792 454.6833675 457.5293527 458.4427109
459.7009453 461.2539664 465.4818836 469.2993409 470.2986469
471.2211324 474.2500768 477.6823635 483.0764957 483.8302463
485.3649005 487.5101153 492.9148634 497.5026677 499.2988122
500.6756786 504.0734379 505.5825155 507.6399719 510.5894483
512.5376655 516.1740192 518.4137231 519.9867626 522.2721758
526.2053294 530.5214505 532.0172679 533.5527232 537.0118935
538.5336113 540.7013855 542.6202546 544.9632183 546.6532496
548.3531520 550.1990226 551.2234515 552.9473139 557.1262502
559.0842324 560.5459587 562.0476664 563.6305381 565.6308375
568.2445452 570.2244966 571.4023675 573.7777728 574.3007639
576.0453946 578.3014899 580.1660603 581.1735446 583.0008016
584.3080116 586.2351449 587.9354072 589.4800307 591.2478579
594.9837156 596.4602181 598.7918879 599.4455600 603.6640920
605.7923513 608.6031725 609.6436634 610.5328103 613.2027166
613.6629162 615.5748093 617.8353932 618.2380856 621.3892073
624.3487112 625.9366615 627.1410118 630.5112759 630.7018753
631.3070660 632.9556166 635.1419050 637.8701587 639.2657600
641.8412455 642.4853076 643.6037814 643.9609007 644.4584740
647.0882326 647.7415670 650.3445639 651.9694349 652.1809368
652.8655435 654.2092460 656.0937630 658.1321736 660.2685788
661.1671836 662.2919332 663.8010613 665.8452286 666.9689892
669.8634940 672.0757834 673.6300677 674.3418904 675.9458016
676.6444585 678.9281032 679.6933868 681.9321651 684.7924366
685.9316853 686.6885306 688.1086287 689.0879914 690.6184497
692.6833362 693.3286628 695.2025224 697.0923967 698.2600361
699.8686634 701.2403792 702.6060701 704.7961832 705.9811861
707.1446416 709.1858482 710.6281957 711.8454855 713.2828720
714.0737071 714.9383117 718.0612162 719.3772738 720.9687646
722.5965492 723.1861229 723.5749901 726.0658834 726.1761364
730.0828918 730.7979004 732.4969733 734.0741151 734.1551399
735.6926054 737.1505401 739.2120855 741.0703917 741.7299114
743.4722809 746.0165326 746.6317883 747.5994661 749.8426018
750.9394364 752.4196911 753.9879192 754.9654460 756.7296071
758.5254633 758.6877163 759.4061589 760.3501590 760.9363418
761.9813696 762.6373067 764.6434686 765.9631449 768.0259469
769.4419624 770.4154301 773.1562201 773.9167402 774.9688436
775.0737981 776.0383608 776.2322262 778.9794519 779.9354470
781.4687561 782.5155994 782.8250685 784.7754664 785.6559265
787.1696648 789.1360647 791.4992195 793.6038020 794.3575146
794.9967421 795.8961048 798.2741411 798.9559902 800.2123720
801.9010935 803.4523473 804.5096375 805.4676799 806.4718111
808.3510845 808.7238375 809.9785725 810.9747322 812.0344511
813.1851749 813.9381797 814.9942563 816.1970708 818.3714800
820.0019809 820.9884113 822.5153445 826.3726724 827.1722310
829.4863955 831.5819561 832.8829260 834.0285988 837.2159456
837.6293440 840.4421138 842.1583056 842.4403151 844.0637203
844.3822342 845.1921182 845.4116843 846.7929131 849.3480638
850.6781858 852.6848028 854.2482418 855.1503208 856.7423978
858.6458090 859.9731556 861.0364079 861.5716671 863.2472447
867.9475165 868.7399235 870.4101960 870.7679186 872.5657814
874.3183338 875.8474943 877.5817195 878.4905323 880.0128213
881.0064139 883.7380278 885.5588025 886.1219803 886.3199616
886.7179109 890.3884849 891.9349793 892.6554065 895.2861337
896.8316158 897.4451106 898.0742760 900.6973974 901.9156263
903.3524404 905.3128102 905.8513076 907.8521634 909.2669522
909.7205068 911.4283550 912.0437469 912.7529993 915.5317649
915.7862626 916.3385467 918.6479607 919.8464857 921.1330241
921.7289488 924.2183428 924.6803113 925.6734002 927.1438923
929.3958971 931.3442239 933.7238730 935.0405459 936.4996158
938.3603240 939.5596632 939.7995962 941.8719092 942.7935095
944.3360913 946.3959177 948.8984500 950.0468192 950.5556368
952.3764236 953.5012139 954.7768320 956.8067249 958.7075842
960.1588482 961.4344876 964.1121694 966.5096406 967.8687252
968.4411002 969.6860088 972.9047308 973.6744207 974.1939165
975.9313724 977.8170715 978.9346712 980.1725830 982.0754089
983.4904935 983.6962387 984.4678982 986.3336786 989.4200717
990.4874946 991.0213986 991.9317538 993.7405522 994.8406548
997.2707006 1000.1655271 1002.5620980 1003.5177253 1003.8748590
1005.6684985 1007.7343482 1010.1466305 1012.4319757 1013.9548928
1016.3055566 1017.9219114 1019.1605198 1021.1565762 1022.6382067
1023.7224454 1025.2382037 1027.4031627 1028.2830807 1028.8709886
1031.3579194 1032.8301859 1033.8776037 1034.5967353 1035.8344337
1036.7063989 1038.8894435 1039.5715650 1041.1980613 1042.0626771
1044.3344858 1045.9085154 1048.5498859 1048.7634310 1050.1794858
1052.6580494 1054.2514175 1055.9139698 1059.0472435 1061.6934682
1062.7831079 1063.2483037 1064.9450023 1066.8873815 1068.0793321
1069.0670659 1069.9715021 1072.2195173 1074.2615742 1076.3753090
1077.8303991 1082.7700444 1083.9072496 1086.7184237 1089.1085876
1090.2189476 1093.2894176 1096.0326829 1096.3405142 1099.5497581
1102.0393809 1102.6472321 1103.0127564 1103.5862193 1106.8696157
1109.4549758 1111.5366373 1113.2307943 1115.1220034 1115.8888365
1118.6528582 1121.1673830 1122.8326493 1124.9387566 1128.0185891
1129.3350295 1131.6076911 1133.4716914 1135.3752374 1136.8611618
1137.2068281 1142.8935127 1144.5004549 1146.3373084 1148.2567170
1151.2629477 1151.8634331 1153.9977901 1157.9159448 1158.1766660
1163.1129738 1166.5429924 1167.7780983 1169.2251264 1172.4500400
1176.6320109 1178.3627945 1179.6888457 1182.7975843 1185.5561670
1188.5563369 1189.5851046 1193.2935580 1196.7095947 1197.5667862
1198.7526296 1204.6831534 1205.4193001 1207.5320306 1208.2539461
1215.4953024 1220.7627114 1222.9603332 1224.8998855 1228.8083787
1231.3817410 1231.9916292 1236.1093314 1241.4315929 1243.4269510
1246.2551628 1248.5082034 1253.0748159 1254.6674710 1257.5178094
1262.6356986 1268.3831574 1269.4665401 1271.1789681 1275.9656849
1288.6315471 1290.3669515 1298.2339927 1304.9245525 1311.2547550
1317.1350684 1324.3539777 1329.1455210 1332.1784910 1347.2428634
1358.7095349 1367.2153861 1375.8947455 1377.5737191 1397.4933439
1411.2364886 1428.0397529 1437.1646308
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404250425412446927.eigenfacs
Openam> file on opening on unit 10:
2404250425412446927.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404250425412446927.atom
Openam> file on opening on unit 11:
2404250425412446927.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 183
First residue number = 96
Last residue number = 288
Number of atoms found = 191
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9030E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9429E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9656E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9985E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0016E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0084E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7210
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8851
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.083
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.534
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.565
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.815
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.011
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.217
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.298
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.416
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.772
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.249
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.555
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.660
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.861
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.249
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.400
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.674
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.759
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.171
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.497
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.892
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.104
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.225
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.600
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.652
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.690
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.965
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.347
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.875
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.061
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.190
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 8.995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.393
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 10.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 11.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 12.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 12.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 13.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 13.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 14.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 15.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 17.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 17.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 18.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 18.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 19.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 19.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 20.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.26
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 573 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.557400
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.453 for 191 C-alpha atoms.
Bfactors> = 1.635 +/- 2.60
Bfactors> = 21.564 +/- 11.82
Bfactors> Shiftng-fct= 19.929
Bfactors> Scaling-fct= 4.547
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404250425412446927 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=0
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=100
2404250425412446927.eigenfacs
2404250425412446927.atom
making animated gifs
11 models are in 2404250425412446927.7.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 2404250425412446927.7.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 2404250425412446927.7.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 2404250425412446927 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=0
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=100
2404250425412446927.eigenfacs
2404250425412446927.atom
making animated gifs
11 models are in 2404250425412446927.8.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 2404250425412446927.8.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 2404250425412446927.8.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 2404250425412446927 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=0
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=100
2404250425412446927.eigenfacs
2404250425412446927.atom
making animated gifs
11 models are in 2404250425412446927.9.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 2404250425412446927.9.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 2404250425412446927.9.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 2404250425412446927 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=0
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=100
2404250425412446927.eigenfacs
2404250425412446927.atom
making animated gifs
11 models are in 2404250425412446927.10.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 2404250425412446927.10.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 2404250425412446927.10.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 2404250425412446927 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=0
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=100
2404250425412446927.eigenfacs
2404250425412446927.atom
making animated gifs
11 models are in 2404250425412446927.11.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 2404250425412446927.11.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 2404250425412446927.11.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 2404250425412446927 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=0
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=100
2404250425412446927.eigenfacs
2404250425412446927.atom
making animated gifs
11 models are in 2404250425412446927.12.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 2404250425412446927.12.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 2404250425412446927.12.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 2404250425412446927 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=0
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=100
2404250425412446927.eigenfacs
2404250425412446927.atom
making animated gifs
11 models are in 2404250425412446927.13.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 2404250425412446927.13.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 2404250425412446927.13.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 2404250425412446927 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=0
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=100
2404250425412446927.eigenfacs
2404250425412446927.atom
making animated gifs
11 models are in 2404250425412446927.14.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 2404250425412446927.14.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 2404250425412446927.14.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 2404250425412446927 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=0
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=100
2404250425412446927.eigenfacs
2404250425412446927.atom
making animated gifs
11 models are in 2404250425412446927.15.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 2404250425412446927.15.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 2404250425412446927.15.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 2404250425412446927 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=-20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=0
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=20
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=40
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=60
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=80
2404250425412446927.eigenfacs
2404250425412446927.atom
calculating perturbed structure for DQ=100
2404250425412446927.eigenfacs
2404250425412446927.atom
making animated gifs
11 models are in 2404250425412446927.16.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 2404250425412446927.16.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 2404250425412446927.16.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
2404250425412446927.10.pdb
2404250425412446927.11.pdb
2404250425412446927.12.pdb
2404250425412446927.13.pdb
2404250425412446927.14.pdb
2404250425412446927.15.pdb
2404250425412446927.16.pdb
2404250425412446927.7.pdb
2404250425412446927.8.pdb
2404250425412446927.9.pdb
STDERR:
real 0m2.804s
user 0m2.795s
sys 0m0.008s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404250425412446927.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
|
