*** ***
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 = 2404301817233796931.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 2404301817233796931.atom to be opened.
Openam> File opened: 2404301817233796931.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 195
First residue number = 96
Last residue number = 290
Number of atoms found = 199
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 97.045724 +/- 7.518664 From: 80.354000 To: 115.922000
= 82.574362 +/- 9.443399 From: 62.410000 To: 100.050000
= -30.303945 +/- 10.689513 From: -51.687000 To: -9.874000
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 9.4973 % Filled.
Pdbmat> 16953 non-zero elements.
Pdbmat> 1751 atom-atom interactions.
Pdbmat> Number per atom= 17.60 +/- 5.31
Maximum number = 30
Minimum number = 6
Pdbmat> Matrix trace = 35020.0
Pdbmat> Larger element = 117.250
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 199 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) = 597
Diagstd> Number of non-zero elements 16953
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 35020.0000006
%Diagstd-Wn: Nb on non-zero elements there: 597
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 597 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 35020.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5530441 0.6175224 0.8666952 0.9440115
1.0702595 1.2929198 1.4355616 1.5961830 1.7463227
2.0804552 2.2563378 2.5609233 2.6849735 3.0425274
3.1248509 3.3682786 3.6640832 3.8476312 4.0785866
4.3035989 4.4870383 4.5369683 4.7457372 5.1737630
5.5342798 5.6561095 5.7701391 6.2992750 6.6311544
6.6922346 6.8952667 7.1612326 7.1930170 7.4015697
7.7267127 7.8767320 7.9273970 8.3418685 8.4731529
8.7222833 8.9833937 9.1629944 9.4931208 9.5948199
9.9227452 10.1719097 10.5922815 10.7691735 10.9479384
10.9839924 11.1673018 11.3667520 11.6766894 11.8602261
11.9618026 12.1832906 12.5169194 12.8937108 13.0891108
13.4693075 13.4828867 13.6879965 14.0142806 14.2559063
14.4891823 14.7794606 14.8801109 15.0131340 15.5795103
15.6829606 15.9078579 16.3841455 16.4827489 16.6745506
16.7629958 16.8313332 17.1817598 17.2789701 17.4004219
17.9169259 18.0498560 18.1144856 18.4040557 18.6039360
18.8310358 19.1201598 19.2224032 19.3599959 19.4714859
19.4954158 19.9893101 20.2235379 20.4665408 20.4893356
20.7389112 20.7959614 21.3664973 21.6333017 21.7176774
21.8177557 21.8872669 22.2449598 22.7139985 22.7512777
22.9871948 23.1598210 23.3858755 23.5054752 23.6280085
23.9484202 24.1529742 24.2762130 24.2983304 24.4315508
24.6120703 24.9297890 25.0951247 25.3922886 25.4693788
25.8284999 25.9022923 26.1690561 26.2685472 26.4151529
26.6312774 26.8069951 26.9545943 27.0343453 27.3025742
27.4144384 27.6212667 27.8153113 28.0453335 28.0661219
28.2687338 28.4330123 28.5112260 28.6894856 29.0751311
29.2210464 29.4379233 29.6065182 29.6841404 29.8310488
30.0583627 30.1815609 30.3169362 30.3567097 30.5442156
30.7387241 31.1279837 31.2255130 31.5702023 31.6435209
31.6800820 31.9620747 32.0636190 32.2196840 32.5038160
32.5641774 32.6368275 32.9843555 33.0266486 33.3280299
33.4217734 33.7694675 33.9044025 34.1262811 34.3534865
34.4671814 34.7502636 34.7945220 35.0333673 35.2162992
35.4435574 35.5076143 35.6383944 35.7872599 35.9039148
36.1074360 36.1703904 36.3292822 36.3976724 36.6303143
36.7610768 36.9725059 37.0724653 37.2899161 37.4027302
37.6297594 37.7336325 37.8307790 37.9615191 38.2650225
38.3654257 38.4136659 38.8056272 38.8590689 39.0347061
39.2634393 39.3629107 39.5109424 39.7409161 39.7735845
40.0889103 40.3219378 40.4052967 40.4392164 40.5370343
40.6197197 40.7225316 40.8185073 40.9841678 41.2121658
41.3524476 41.4545914 41.7470554 41.8807935 42.0873792
42.1848207 42.2869711 42.3816810 42.4557995 42.5593176
42.6475658 42.9739705 43.1144878 43.2371588 43.3102085
43.3961715 43.5776057 43.6660847 43.7723910 43.9639053
44.1360588 44.4444081 44.6289711 44.7093189 44.8751242
45.1119140 45.2025429 45.2837478 45.5357960 45.6388517
45.6545676 45.8683918 45.9470370 46.0694731 46.1937900
46.5817047 46.8667926 47.0528599 47.2201985 47.3866121
47.5171387 47.6762655 47.9106258 48.0072225 48.0845071
48.3463852 48.4583265 48.5287667 48.6289562 48.8514895
48.9303885 49.3470598 49.4568182 49.5459938 49.7725129
49.8503485 50.0724582 50.1108456 50.2948163 50.3461420
50.4530473 50.5169356 50.8382379 50.9766052 51.1523778
51.3491841 51.4118927 51.6701388 51.8946726 51.9495605
52.2204596 52.6551461 52.7050035 52.9484023 53.0887263
53.2009590 53.2327043 53.6359175 53.7368252 53.9325652
53.9998984 54.2138752 54.3032144 54.5393857 54.8454820
55.0568076 55.1944670 55.4247596 55.6908211 55.8519938
55.9872663 56.0335401 56.2434003 56.3873703 56.6936030
56.9031292 56.9329665 57.1798456 57.3508101 57.6504395
57.8934014 58.2203316 58.3344537 58.3859949 58.6616170
58.8978409 58.9605115 59.0473012 59.3426696 59.4307155
59.6098405 59.7321259 59.9479545 60.1969349 60.4450761
60.8047449 60.8804548 61.0084690 61.0539332 61.1932158
61.4234099 61.5578345 61.7372318 62.0751619 62.5901988
62.6720693 62.9479089 63.1572840 63.2252892 63.3163778
63.5747037 63.8704385 64.0160383 64.2177780 64.3336010
64.5162114 64.7016337 64.8647060 65.0699686 65.1867406
65.3651440 65.4672882 65.8739736 66.1087605 66.3653972
66.5899471 66.6988274 66.9015467 67.1241099 67.2647353
67.5495255 67.7741166 67.9040755 68.1501783 68.2488681
68.2537500 68.4178429 68.7622653 68.8788510 69.2434765
69.2650182 69.3140902 69.4234053 69.7403278 69.8157098
70.0138964 70.3617153 70.5773377 70.7828150 71.0395349
71.0836165 71.2784766 71.5696525 71.7760251 72.2629648
72.3523600 72.4094045 72.6862649 72.8046642 73.2587488
73.5167188 73.8455973 73.9780305 74.1789237 74.4063740
74.5315391 74.6629291 74.9320532 75.0894657 75.1601520
75.5402488 75.7229558 75.8875393 75.9962755 76.1505934
76.6094677 76.6709452 76.8509327 77.0130506 77.4558163
77.5837834 77.7156860 78.0642224 78.1265833 78.3349076
78.9192485 79.0893714 79.4482072 79.6284734 79.8466986
80.0768865 80.4505190 80.6702452 80.7259877 81.0700539
81.3449104 81.6876603 81.8214649 81.8914881 82.0938277
82.5243696 82.6072914 82.8452116 83.0911913 83.2996993
83.3929119 83.6239766 83.8284161 83.9919512 84.2544210
84.5998879 84.7856139 84.8969002 85.2278525 85.5131510
85.6266533 85.7165154 85.9844866 86.2199811 86.4815829
86.8790160 86.9709082 87.2150970 87.5769341 87.7262963
88.2249984 88.2978695 88.8219877 89.1387799 89.5252805
89.6324365 89.7470283 89.8277449 90.1809883 90.4166805
90.8278260 90.9679758 91.3203466 91.7394582 92.0681232
92.2152980 92.3575050 92.7497402 92.9794090 93.2020696
93.2436999 93.3021340 93.8145234 94.0288899 94.2944203
94.5375328 94.8711862 95.3671479 95.6506328 96.0541778
96.7478811 97.0811379 97.2207700 97.5365386 97.7788638
98.2603835 98.3407234 98.5389668 99.1333209 99.1760209
99.8511092 100.3312886 100.4318454 100.8795346 101.1726370
101.5023801 101.6054127 102.0844898 102.2990668 102.9289693
103.0254613 103.5384105 103.7664228 103.9981897 104.3956027
105.2483340 105.4542382 105.8267188 106.2726751 106.7343983
106.9155262 107.1984829 107.9816912 108.1124034 108.2825479
108.7176246 109.0152161 109.6026090 110.0840414 110.3183204
110.5933160 111.1660445 111.6832453 112.1586531 112.5311656
113.0244904 113.4884845 114.0262637 114.5273884 115.0434465
115.1492979 115.2557913 115.7881342 116.2086646 116.8172957
116.9167717 117.7768878 117.8789555 118.6105842 119.2367699
120.2263907 120.3188456 120.6344082 121.3690669 121.7392108
122.1671585 122.8796867 123.5236132 124.0414178 124.3367278
125.2616747 125.7780178 126.3189656 126.7731108 127.7955120
128.8290303 128.9615138 129.6057654 131.3762873 131.4855531
132.1086192 133.6641370 134.0265419 135.0322713 135.6189495
136.4438450 137.7036275 138.3330323 139.9437348 140.4691790
141.1462636 141.8793253 143.3671379 146.7496753 148.9211998
149.4330564 151.7322467 154.4556748 157.6957006 160.7168876
165.2391683 167.0646992
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034229 0.0034268 0.0034308 0.0034360 0.0034416
0.0034424 80.7560658 85.3339094 101.0947225 105.5076424
112.3413974 123.4755815 130.1086559 137.1944766 143.5018600
156.6298255 163.1162904 173.7775083 177.9365992 189.4141970
191.9596411 199.2963219 207.8633611 213.0060803 219.3058045
225.2740549 230.0250692 231.3013423 236.5631658 247.0009057
255.4617230 258.2582381 260.8485463 272.5464729 279.6339190
280.9188341 285.1483182 290.5956912 291.2398660 295.4317694
301.8510312 304.7672631 305.7458596 313.6367545 316.0951272
320.7084294 325.4733968 328.7108140 334.5798509 336.3672423
342.0670172 346.3351163 353.4191161 356.3579627 359.3035050
359.8946514 362.8853255 366.1115852 371.0694013 373.9743057
375.5723357 379.0334884 384.1881880 389.9278387 392.8713435
398.5363268 398.7371700 401.7586384 406.5188471 410.0083459
413.3493118 417.4693270 418.8884295 420.7566231 428.6197532
430.0404477 433.1129124 439.5488810 440.8695480 443.4272198
444.6016789 445.5070071 450.1208208 451.3923626 452.9759762
459.6497504 461.3517274 462.1769510 465.8563819 468.3793063
471.2294072 474.8331585 476.1010310 477.8019418 479.1757464
479.4701026 485.5055317 488.3417412 491.2668990 491.5403997
494.5250055 495.2047272 501.9517195 505.0759432 506.0599510
507.2246108 508.0319746 512.1664105 517.5378015 517.9623299
520.6408840 522.5921476 525.1363690 526.4774790 527.8479503
531.4148857 533.6795837 535.0393820 535.2830566 536.7484488
538.7277583 542.1938426 543.9888014 547.2001443 548.0301559
551.8802749 552.6680774 555.5067101 556.5616878 558.1126221
560.3911646 562.2369037 563.7826156 564.6160363 567.4101208
568.5713307 570.7120939 572.7132652 575.0764516 575.2895484
577.3623474 579.0375347 579.8333979 581.6432081 585.5393966
587.0068401 589.1811789 590.8659299 591.6399867 593.1022089
595.3576528 596.5764814 597.9129159 598.3049958 600.1499423
602.0578155 605.8579004 606.8062861 610.1462727 610.8543636
611.2071537 613.9213843 614.8958334 616.3904741 619.1023541
619.6769420 620.3678011 623.6619974 624.0617049 626.9026441
627.7836855 631.0407228 632.3002129 634.3658009 636.4740331
637.5263880 640.1390664 640.5465808 642.7413213 644.4172214
646.4931571 647.0770953 648.2676427 649.6201743 650.6780895
652.5196662 653.0882624 654.5211561 655.1369374 657.2273118
658.3993485 660.2900054 661.1819878 663.1182545 664.1205708
666.1330795 667.0518421 667.9099643 669.0630902 671.7323539
672.6130524 673.0357875 676.4607980 676.9264368 678.4545150
680.4393954 681.3007745 682.5806527 684.5642534 684.8455633
687.5549385 689.5503419 690.2627391 690.5524116 691.3870912
692.0918598 692.9671773 693.7832969 695.1897191 697.1207329
698.3061880 699.1680912 701.6300873 702.7530368 704.4841421
705.2991882 706.1526115 706.9429526 707.5608454 708.4229273
709.1570163 711.8656236 713.0285112 714.0421583 714.6450957
715.3539650 716.8478100 717.5751771 718.4481242 720.0180968
721.4264398 723.9421171 725.4437067 726.0964395 727.4415648
729.3582624 730.0905279 730.7460252 732.7768600 733.6055943
733.7318939 735.4481111 736.0783352 737.0584048 738.0521985
741.1446354 743.4091408 744.8833947 746.2067689 747.5205053
748.5493209 749.8016559 751.6422811 752.3996250 753.0050077
755.0527339 755.9263530 756.4755702 757.2560542 758.9867340
759.5993987 762.8267628 763.6746361 764.3628166 766.1081176
766.7069137 768.4130580 768.7075485 770.1173248 770.5101756
771.3277948 771.8160031 774.2665993 775.3195507 776.6550911
778.1477287 778.6227276 780.5758206 782.2699878 782.6835732
784.7216326 787.9809011 788.3538696 790.1721348 791.2185002
792.0543996 792.2906763 795.2856339 796.0333857 797.4818706
797.9795311 799.5589816 800.2175084 801.9557420 804.2030376
805.7508888 806.7575756 808.4388753 810.3769707 811.5487642
812.5309478 812.8666596 814.3874352 815.4290904 817.6403385
819.1498481 819.3645815 821.1391702 822.3658335 824.5112608
826.2468435 828.5765109 829.3881913 829.7545125 831.7107128
833.3836337 833.8268999 834.4403690 836.5247984 837.1451387
838.4057730 839.2652977 840.7801789 842.5243656 844.2590883
846.7671775 847.2941820 848.1845229 848.5005028 849.4677950
851.0640416 851.9948057 853.2353822 855.5673656 859.1093501
859.6710412 861.5608063 862.9924637 863.4569558 864.0787232
865.8396158 867.8511215 868.8397402 870.2076916 870.9920898
872.2273656 873.4798756 874.5799306 875.9626298 876.7482615
877.9471863 878.6328896 881.3577163 882.9269788 884.6390972
886.1344383 886.8585954 888.2052985 889.6814797 890.6129363
892.4963146 893.9787854 894.8354907 896.4555877 897.1044413
897.1365259 898.2143083 900.4723214 901.2353686 903.6176650
903.7582121 904.0782973 904.7909260 906.8537899 907.3437647
908.6306956 910.8848722 912.2795005 913.6065307 915.2617961
915.5457227 916.7997475 918.6704232 919.9939727 923.1093888
923.6801934 924.0442487 925.8091243 926.5628464 929.4478537
931.0828731 933.1631577 933.9995411 935.2668562 936.6996342
937.4871529 938.3131268 940.0026904 940.9895218 941.4323226
943.8098070 944.9505000 945.9768655 946.6543493 947.6149994
950.4658178 950.8471059 951.9625233 952.9660822 955.7015665
956.4907125 957.3034471 959.4476851 959.8308313 961.1096725
964.6877213 965.7269297 967.9152471 969.0127135 970.3396152
971.7372915 974.0016785 975.3308670 975.6677818 977.7447917
979.4008414 981.4620440 982.2655337 982.6857574 983.8990316
986.4756916 986.9711803 988.3914641 989.8577169 991.0989070
991.6532730 993.0261566 994.2392650 995.2085888 996.7623597
998.8037728 999.8995315 1000.5555309 1002.5038588 1004.1803877
1004.8465953 1005.3737323 1006.9440301 1008.3219977 1009.8505245
1012.1682894 1012.7034344 1014.1241250 1016.2256415 1017.0918572
1019.9787168 1020.3998657 1023.4238276 1025.2472731 1027.4675757
1028.0822978 1028.7392710 1029.2017805 1031.2234385 1032.5701341
1034.9151388 1035.7132822 1037.7172971 1040.0958553 1041.9573085
1042.7897826 1043.5935261 1045.8072091 1047.1012330 1048.3542456
1048.5883521 1048.9168664 1051.7931028 1052.9940924 1054.4798318
1055.8383015 1057.6998568 1060.4609419 1062.0359162 1064.2738949
1068.1100742 1069.9480936 1070.7172721 1072.4546828 1073.7860895
1076.4268141 1076.8667795 1077.9516520 1081.1976868 1081.4305155
1085.1049063 1087.7108868 1088.2558279 1090.6786583 1092.2619757
1094.0404848 1094.5956110 1097.1731261 1098.3256253 1101.7018844
1102.2181652 1104.9586524 1106.1746534 1107.4093096 1109.5231885
1114.0454141 1115.1346218 1117.1022992 1119.4535725 1121.8827837
1122.8342953 1124.3191290 1128.4188769 1129.1016482 1129.9897742
1132.2576343 1133.8062334 1136.8567021 1139.3508028 1140.5625322
1141.9832142 1144.9363840 1147.5967058 1150.0366286 1151.9448537
1154.4670951 1156.8343574 1159.5720195 1162.1172801 1164.7325761
1165.2682875 1165.8069999 1168.4962103 1170.6162153 1173.6777034
1174.1773210 1178.4884144 1178.9989540 1182.6520877 1185.7697902
1190.6803461 1191.1380783 1192.6990662 1196.3252983 1198.1481495
1200.2522166 1203.7473055 1206.8971832 1209.4241628 1210.8629675
1215.3584566 1217.8608046 1220.4768908 1222.6688673 1227.5892635
1232.5431979 1233.1767882 1236.2532342 1244.6687118 1245.1862006
1248.1329745 1255.4595647 1257.1603824 1261.8684052 1264.6066704
1268.4467933 1274.2891073 1277.1979967 1284.6121059 1287.0215009
1290.1196002 1293.4654646 1300.2297178 1315.4788039 1325.1759440
1327.4513697 1337.6245302 1349.5755912 1363.6571903 1376.6579177
1395.8918786 1403.5814727
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404301817233796931.eigenfacs
Openam> file on opening on unit 10:
2404301817233796931.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404301817233796931.atom
Openam> file on opening on unit 11:
2404301817233796931.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 195
First residue number = 96
Last residue number = 290
Number of atoms found = 199
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: 9.9356E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9582E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9819E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0012E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0044E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0049E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5530
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6175
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9440
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.293
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.436
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.596
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.746
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.080
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.256
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.561
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.685
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.043
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.125
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.664
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.848
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.079
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.304
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.487
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.537
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.746
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.174
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.534
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.656
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.770
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.299
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.631
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.895
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.161
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.193
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.402
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.727
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.877
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.927
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.342
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.473
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.722
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.983
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.163
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.493
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.595
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.923
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 18.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.82
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 597 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 : 0.553000
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= 0.649 for 199 C-alpha atoms.
Bfactors> = 1.571 +/- 2.53
Bfactors> = 17.813 +/- 8.07
Bfactors> Shiftng-fct= 16.242
Bfactors> Scaling-fct= 3.194
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404301817233796931 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=0
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=100
2404301817233796931.eigenfacs
2404301817233796931.atom
making animated gifs
11 models are in 2404301817233796931.7.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 2404301817233796931.7.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 2404301817233796931.7.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 2404301817233796931 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=0
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=100
2404301817233796931.eigenfacs
2404301817233796931.atom
making animated gifs
11 models are in 2404301817233796931.8.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 2404301817233796931.8.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 2404301817233796931.8.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 2404301817233796931 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=0
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=100
2404301817233796931.eigenfacs
2404301817233796931.atom
making animated gifs
11 models are in 2404301817233796931.9.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 2404301817233796931.9.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 2404301817233796931.9.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 2404301817233796931 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=0
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=100
2404301817233796931.eigenfacs
2404301817233796931.atom
making animated gifs
11 models are in 2404301817233796931.10.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 2404301817233796931.10.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 2404301817233796931.10.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 2404301817233796931 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=0
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=100
2404301817233796931.eigenfacs
2404301817233796931.atom
making animated gifs
11 models are in 2404301817233796931.11.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 2404301817233796931.11.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 2404301817233796931.11.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 2404301817233796931 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=0
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=100
2404301817233796931.eigenfacs
2404301817233796931.atom
making animated gifs
11 models are in 2404301817233796931.12.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 2404301817233796931.12.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 2404301817233796931.12.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 2404301817233796931 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=0
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=100
2404301817233796931.eigenfacs
2404301817233796931.atom
making animated gifs
11 models are in 2404301817233796931.13.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 2404301817233796931.13.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 2404301817233796931.13.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 2404301817233796931 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=0
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=100
2404301817233796931.eigenfacs
2404301817233796931.atom
making animated gifs
11 models are in 2404301817233796931.14.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 2404301817233796931.14.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 2404301817233796931.14.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 2404301817233796931 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=0
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=100
2404301817233796931.eigenfacs
2404301817233796931.atom
making animated gifs
11 models are in 2404301817233796931.15.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 2404301817233796931.15.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 2404301817233796931.15.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 2404301817233796931 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=-20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=0
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=20
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=40
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=60
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=80
2404301817233796931.eigenfacs
2404301817233796931.atom
calculating perturbed structure for DQ=100
2404301817233796931.eigenfacs
2404301817233796931.atom
making animated gifs
11 models are in 2404301817233796931.16.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 2404301817233796931.16.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 2404301817233796931.16.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
2404301817233796931.10.pdb
2404301817233796931.11.pdb
2404301817233796931.12.pdb
2404301817233796931.13.pdb
2404301817233796931.14.pdb
2404301817233796931.15.pdb
2404301817233796931.16.pdb
2404301817233796931.7.pdb
2404301817233796931.8.pdb
2404301817233796931.9.pdb
STDERR:
real 0m3.058s
user 0m3.054s
sys 0m0.004s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404301817233796931.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.
|
