*** ***
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 = 2402181508163317633.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 2402181508163317633.atom to be opened.
Openam> File opened: 2402181508163317633.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 = 188
First residue number = 96
Last residue number = 290
Number of atoms found = 199
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 1.820136 +/- 7.597402 From: -16.942000 To: 20.028000
= -15.613603 +/- 10.288456 From: -37.068000 To: 4.885000
= 11.895603 +/- 9.359768 From: -7.801000 To: 32.625000
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 9.8021 % Filled.
Pdbmat> 17497 non-zero elements.
Pdbmat> 1812 atom-atom interactions.
Pdbmat> Number per atom= 18.21 +/- 5.65
Maximum number = 30
Minimum number = 5
Pdbmat> Matrix trace = 36240.0
Pdbmat> Larger element = 123.973
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 17497
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 36240.0000006
%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 = 36240.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3456367 0.7326283 0.8713529 0.8957319
1.0595947 1.3944575 1.5722920 1.6593522 1.8502451
1.9461403 2.1577787 2.1705873 2.6968049 2.8702061
3.0687696 3.3053743 3.5531694 3.9137841 4.1403962
4.1730029 4.6840123 4.8634091 4.9046480 5.0604749
5.4330243 5.8344217 5.8596048 6.2208642 6.3651669
6.4619243 6.9054271 7.0034344 7.2749355 7.3833439
7.5104793 7.8577235 7.9577586 8.1473608 8.3830338
8.5307806 8.7861694 9.1472548 9.2602622 9.6677969
9.9182604 10.1416656 10.2971157 10.4145248 10.6752041
10.8079832 11.0952575 11.4939351 11.6284520 11.7661414
12.3087864 12.5519125 12.6316978 12.8435638 12.9293154
13.1406925 13.5781588 13.8090284 13.9779667 14.3746789
14.4505970 14.7360348 14.8467831 14.9295452 15.2992084
15.3840164 15.8066534 15.8214873 16.1405154 16.2845814
16.5184274 16.9034978 16.9899154 17.3734211 17.6171437
17.7914293 17.8884997 18.2611404 18.5225628 18.8047248
19.1122852 19.3303696 19.6898472 19.8825353 20.1059322
20.2413901 20.4579980 20.5311101 20.9905321 21.3176745
21.4322585 21.5117443 21.8128702 22.0528060 22.1097242
22.4118503 22.7367247 22.8381256 22.9793451 23.1447255
23.3521139 23.4958500 24.0205480 24.0280127 24.3384843
24.5853977 24.8201879 24.9222357 25.0969536 25.1438204
25.4829248 25.6484007 25.8737262 26.0615724 26.3134249
26.4056682 26.5339754 26.7556447 27.0971879 27.3505438
27.5268924 27.8244807 27.8584190 27.9342803 28.3029014
28.4029719 28.4986839 28.6573795 28.8784524 29.1149766
29.3537937 29.4348850 29.5376830 29.6274992 29.6956152
29.9723370 30.2043156 30.2111119 30.3410984 30.5004632
30.6712541 31.0848929 31.2631806 31.3521720 31.5913440
31.7020760 31.8965642 31.9674497 32.0748028 32.3623721
32.4442278 32.6211294 32.8205208 32.9965672 33.1833851
33.3128112 33.3664882 33.7517476 34.0063477 34.1332675
34.4273636 34.5072953 34.6462798 34.8615730 34.9897072
35.0695453 35.3301786 35.4856470 35.7399926 36.0394009
36.2432726 36.4995871 36.5307306 36.8272440 37.0987015
37.3999108 37.4343072 37.5452027 37.7869345 37.8870809
38.0867982 38.1425177 38.2632404 38.3609025 38.5181829
38.5642964 38.7667323 39.1722069 39.3773685 39.4253943
39.6544311 39.8481088 39.9541420 40.0874501 40.2877538
40.4131219 40.5721809 40.9347692 41.1325199 41.1961340
41.3223771 41.4504787 41.7296889 41.8123454 41.9397729
42.0298882 42.1458476 42.4586565 42.6473551 42.8053785
43.0232029 43.0712355 43.4126550 43.4478371 43.5014472
43.6674905 43.7121352 43.8754571 44.0714386 44.3346204
44.4886355 44.5050553 44.6631709 44.8440989 44.9690096
45.3322657 45.6818536 45.7878447 45.8116044 46.0244865
46.1272310 46.5264650 46.6322803 46.7955632 46.8196508
46.8471184 47.0789479 47.1978168 47.3245662 47.3756410
47.6747772 47.7620927 48.0652036 48.0772303 48.1979664
48.3232674 48.4676058 48.5921272 48.7187260 48.9130788
49.0718411 49.1726308 49.4088514 49.6412540 49.6553664
49.7484891 49.8199095 50.2386556 50.4068441 50.6228613
50.6698881 50.8478775 50.9878414 51.1075972 51.2585246
51.3563329 51.4299522 51.6312213 52.0000900 52.0612362
52.2325701 52.4134502 52.6201822 52.8185681 52.8443332
53.2859004 53.4460990 53.7704822 53.8092543 53.9920100
54.2613263 54.3448506 54.3736636 54.5946348 55.0056476
55.0520601 55.1014567 55.2119385 55.3398878 55.7343404
55.8887457 56.0879423 56.3357397 56.4381426 56.7146938
56.9753773 57.1148782 57.5161247 57.6396600 57.6963219
57.7894044 58.0818210 58.1234057 58.2434240 58.3484495
58.6069479 58.8668888 58.8956794 59.0637231 59.2819180
59.6183562 59.9365539 60.2190456 60.4304444 60.6745372
60.9333654 61.1730886 61.2906205 61.5967112 61.7235164
61.7868741 62.0412748 62.3207151 62.4939202 62.6252985
62.7033773 62.8735394 63.2832460 63.3594909 63.5940117
63.8273246 63.8329850 63.8566882 63.9005651 64.0620851
64.1610672 64.3247462 64.4066551 64.5347669 65.0444719
65.0798561 65.2353753 65.3670004 65.5025959 65.7792694
65.9027948 66.0945291 66.1871985 66.3914194 66.5483318
66.7869853 66.9305168 67.0180518 67.1812856 67.3901677
67.5666527 68.0141895 68.0893610 68.2623836 68.6305869
68.8452124 69.0874275 69.2042569 69.4042623 69.5544901
69.8357721 69.9997501 70.1042640 70.3908285 70.8237795
70.8719764 71.0594136 71.2064073 71.3743423 71.5157999
71.7542342 72.0107741 72.1286512 72.4971894 73.0041433
73.2214243 73.3764028 73.4917791 73.7713709 74.1972837
74.2345810 74.4682976 74.7124908 74.8756441 75.1725460
75.2612987 75.6915646 75.8889883 76.1641266 76.4709820
76.5964328 76.7843850 77.0673522 77.4239319 77.6501438
77.9239042 78.1226855 78.4428334 78.6842555 78.7818244
78.8621029 79.3063821 79.5000771 79.5916853 79.6333091
79.7732951 79.8971409 80.3123549 80.5300323 80.6090575
80.8921060 81.1033501 81.5424966 82.0672139 82.2974150
82.3643228 82.5076852 82.9184987 83.2117924 83.3377311
83.4121135 83.6376943 83.8755629 84.2126009 84.3593324
84.6801922 84.8340147 85.1217867 85.2082237 85.5049317
86.1171979 86.1736407 86.4758520 86.8728063 86.9867615
86.9944308 87.4093732 87.7813995 88.0233209 88.2842699
88.3775698 88.5520726 88.8743543 89.1556900 89.4715881
89.8648025 90.1909432 90.3786967 90.6550943 90.8940456
91.0326152 91.4432798 91.5478031 92.0064728 92.3980732
92.5481060 92.7153095 93.0716484 93.3749277 93.4473434
93.7570620 93.9592989 94.1779496 94.5939637 94.6467240
95.3379749 95.8397908 95.9302575 96.1333444 96.2340850
96.9008556 97.0319055 97.1399032 97.3372009 97.8797059
98.3151948 98.5249570 98.7550617 98.9410407 99.3406055
99.5694582 100.0741543 100.6790116 100.9421846 101.0182438
101.3821011 101.8328546 102.2502413 102.6188296 103.1694353
103.4554662 103.7268100 104.0801796 104.2575810 104.6333684
104.7800727 105.4985719 105.8262265 106.0700515 106.4801891
106.5670966 107.1398599 107.3423812 107.7203183 108.2399007
108.8272719 109.2690473 109.3680801 109.5492868 110.1777102
110.4864461 111.0874382 111.3868813 111.8390479 112.2581034
112.9808214 113.2879261 113.6769691 114.1660251 114.8979752
115.1610973 115.5932198 115.8779219 116.3182090 116.5764774
116.8715486 117.4637482 118.1919705 118.7082203 119.0962632
119.4272056 119.9859337 120.8550689 121.5610468 121.9190674
122.4758255 123.1399902 123.8535389 124.1270861 124.9650334
125.3275226 125.6101404 127.1378997 127.5785747 128.8472095
129.0038794 129.4935194 129.9460199 131.4962493 131.7861025
131.9306710 132.8140222 133.8492636 134.5702598 134.7615288
135.8567392 137.0242339 137.9467358 139.1496903 140.0762990
140.9239431 141.2287119 141.3998206 141.7197209 143.3341768
143.7379343 145.2628669 146.2443634 146.8817260 147.4962727
148.2663973 151.7047679 152.6358076 153.8858224 156.4386599
156.8609294 157.9679736 161.0313088 162.2251261 166.6778449
168.9765555 179.9477372
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034194 0.0034301 0.0034330 0.0034415 0.0034470
0.0034550 63.8418079 92.9473716 101.3660011 102.7742465
111.7802756 128.2324433 136.1638679 139.8828795 147.7100033
151.4894371 159.5139714 159.9867119 178.3282077 183.9720404
190.2293052 197.4265714 204.6931172 214.8293976 220.9613082
221.8296653 235.0197149 239.4780315 240.4912061 244.2816912
253.1139633 262.2975212 262.8629897 270.8448875 273.9682139
276.0426662 285.3583280 287.3762108 292.8935810 295.0678078
297.5973822 304.3993006 306.3307962 309.9586460 314.4096653
317.1682217 321.8807956 328.4283735 330.4508874 337.6440026
341.9897065 345.8198544 348.4601159 350.4410801 354.7998067
356.9995016 361.7128790 368.1541076 370.3021495 372.4880216
380.9806326 384.7248430 385.9456436 389.1688352 390.4658395
393.6446985 400.1434592 403.5309421 405.9918183 411.7127880
412.7985607 416.8555609 418.4190628 419.5836622 424.7464526
425.9220725 431.7330001 431.9355343 436.2686241 438.2113078
441.3464419 446.4610451 447.6008359 452.6243908 455.7881489
458.0371453 459.2849757 464.0440711 467.3538430 470.9000878
474.7353685 477.4362162 481.8550921 484.2071084 486.9197463
488.5572329 491.1643600 492.0412307 497.5159450 501.3779082
502.7235730 503.6549347 507.1678181 509.9495454 510.6072100
514.0840579 517.7966449 518.9499914 520.5519810 522.4218070
524.7571689 526.3696745 532.2145409 532.2972310 535.7251620
538.4357648 541.0006825 542.1116996 544.0086241 544.5163359
548.1758728 549.9528093 552.3632412 554.3647254 557.0369060
558.0124148 559.3664843 561.6981458 565.2718929 567.9083620
569.7362766 572.8076556 573.1568841 573.9367363 577.7111628
578.7315683 579.7058491 581.3176618 583.5555957 585.9404810
588.3386761 589.1507730 590.1786479 591.0752548 591.7543290
594.5050988 596.8013273 596.8684666 598.1511327 599.7199524
601.3967089 605.4384071 607.1721739 608.0357252 610.3505382
611.4192834 613.2919055 613.9730038 615.0030616 617.7538406
618.5346035 620.2185861 622.1111915 623.7774353 625.5407754
626.7594952 627.2642414 630.8751374 633.2501131 634.4307325
637.1580334 637.8972659 639.1805987 641.1634689 642.3406909
643.0731066 645.4583106 646.8769020 649.1910282 651.9046243
653.7459076 656.0534993 656.3333302 658.9916172 661.4159059
664.0955403 664.4008513 665.3842353 667.5228096 668.4067899
670.1661878 670.6562225 671.7167119 672.5734014 673.9507735
674.3540754 676.1217045 679.6484018 681.4258822 681.8412990
683.8189664 685.4868652 686.3982768 687.5424170 689.2579874
690.3295767 691.6867511 694.7706335 696.4467858 696.9851278
698.0522457 699.1334086 701.4841360 702.1785278 703.2476955
704.0028181 704.9733123 707.5846516 709.1552649 710.4678844
712.2732748 712.6707673 715.4898117 715.7796731 716.2211355
717.5867277 717.9534566 719.2934526 720.8981212 723.0474147
724.3022314 724.4358811 725.7216122 727.1900555 728.2021242
731.1373883 733.9511225 734.8020868 734.9927090 736.6984500
737.5202898 740.7050552 741.5468706 742.8439991 743.0351612
743.2530869 745.0898626 746.0299026 747.0309599 747.4339657
749.7899524 750.4762516 752.8538461 752.9480280 753.8928725
754.8721902 755.9987266 756.9692471 757.9546853 759.4650279
760.6965674 761.4773718 763.3042127 765.0972695 765.2060158
765.9232060 766.4727997 769.6872364 770.9745360 772.6247649
772.9835522 774.3400012 775.4049932 776.3150608 777.4604961
778.2018934 778.7594696 780.2818035 783.0641250 783.5243874
784.8126206 786.1703389 787.7192412 789.2027537 789.3952180
792.6864503 793.8771215 796.2826367 796.5696711 797.9212441
799.9088146 800.5242267 800.7364129 802.3618348 805.3764411
805.7161484 806.0775402 806.8852527 807.8196580 810.6935413
811.8157294 813.2611644 815.0556846 815.7961223 817.7924113
819.6697072 820.6725508 823.5502219 824.4341738 824.8392985
825.5043941 827.5903008 827.8865117 828.7408173 829.4876801
831.3230701 833.1646245 833.3683419 834.5563961 836.0964959
838.4656572 840.7002276 842.6790838 844.1568992 845.8600556
847.6622895 849.3280832 850.1435994 852.2638009 853.1406004
853.5783525 855.3338047 857.2578967 858.4483389 859.3502044
859.8857397 861.0517125 863.8526181 864.3728548 865.9710861
867.5581633 867.5966315 867.7576995 868.0557728 869.1521626
869.8233658 870.9321466 871.4864779 872.3527878 875.7909970
876.0291798 877.0752639 877.9596534 878.8697894 880.7239433
881.5505006 882.8319389 883.4506201 884.8125157 885.8575009
887.4444966 888.3975856 888.9783402 890.0603104 891.4429380
892.6094539 895.5607342 896.0554990 897.1932648 899.6097145
901.0152724 902.5988817 903.3617236 904.6661726 905.6447334
907.4741228 908.5388966 909.2168952 911.0732985 913.8708605
914.1817608 915.3898444 916.3361441 917.4160630 918.3247316
919.8543091 921.4972003 922.2511085 924.6042072 927.8313333
929.2110520 930.1939033 930.9249298 932.6940524 935.3825927
935.6176610 937.0893304 938.6245044 939.6488053 941.5099412
942.0655753 944.7546137 945.9858972 947.6991985 949.6063585
950.3849548 951.5502670 953.3019895 955.5048409 956.8996865
958.5850075 959.8068881 961.7715285 963.2504052 963.8474375
964.3383917 967.0509351 968.2311600 968.7888476 969.0421363
969.8934933 970.6460676 973.1649536 974.4828872 974.9609063
976.6711322 977.9455552 980.5895986 983.7395346 985.1182784
985.5186474 986.3759662 988.8285460 990.5758112 991.3251322
991.7674329 993.1076018 994.5188157 996.5149548 997.3827380
999.2777047 1000.1848922 1001.8798584 1002.3884093 1004.1321270
1007.7208063 1008.0509916 1009.8170637 1012.1321160 1012.7957297
1012.8403760 1015.2530042 1017.4112386 1018.8122426 1020.3212816
1020.8602833 1021.8676382 1023.7254723 1025.3445159 1027.1594200
1029.4140524 1031.2803542 1032.3532217 1033.9305963 1035.2923315
1036.0811922 1038.4155372 1039.0088426 1041.6083943 1043.8227012
1044.6698189 1045.6130780 1047.6204877 1049.3259656 1049.7327823
1051.4709418 1052.6043586 1053.8283937 1056.1533773 1056.4478740
1060.2987309 1063.0855345 1063.5871590 1064.7123849 1065.2701089
1068.9541708 1069.6767602 1070.2718763 1071.3582221 1074.3396594
1076.7269971 1077.8750200 1079.1329730 1080.1486258 1082.3274712
1083.5734424 1086.3161711 1089.5941226 1091.0172821 1091.4282413
1093.3920807 1095.8200422 1098.0634883 1100.0408396 1102.9880496
1104.5159744 1105.9634925 1107.8457519 1108.7894945 1110.7859646
1111.5643968 1115.3690024 1117.0997008 1118.3858668 1120.5459937
1121.0031865 1124.0116622 1125.0734931 1127.0523638 1129.7672284
1132.8284608 1135.1254438 1135.6397214 1136.5801252 1139.8354281
1141.4313131 1144.5315163 1146.0730558 1148.3968984 1150.5463804
1154.2440493 1155.8117188 1157.7946091 1160.2824425 1163.9959468
1165.3279886 1167.5122897 1168.9491764 1171.1678275 1172.4673141
1173.9502148 1176.9207169 1180.5632690 1183.1387466 1185.0709381
1186.7163216 1189.4890486 1193.7893921 1197.2710902 1199.0328901
1201.7675356 1205.0216166 1208.5078908 1209.8417306 1213.9185141
1215.6778610 1217.0477863 1224.4267151 1226.5468831 1232.6301574
1233.3793292 1235.7177855 1237.8749408 1245.2368469 1246.6085101
1247.2920834 1251.4607837 1256.3286777 1259.7078210 1260.6027346
1265.7148445 1271.1417163 1275.4134554 1280.9624598 1285.2203974
1289.1031614 1290.4963463 1291.2778743 1292.7377302 1300.0802432
1301.9100508 1308.7978891 1313.2120177 1316.0705286 1318.8208457
1322.2593528 1337.5034021 1341.6013749 1347.0837126 1358.2112514
1360.0431023 1364.8339088 1378.0038840 1383.1024177 1401.9554672
1411.5897844 1456.6944824
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402181508163317633.eigenfacs
Openam> file on opening on unit 10:
2402181508163317633.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402181508163317633.atom
Openam> file on opening on unit 11:
2402181508163317633.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 = 188
First residue number = 96
Last residue number = 290
Number of atoms found = 199
Mean number per residue = 1.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9156E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9776E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9947E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0044E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0076E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0123E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7326
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8714
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.394
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.572
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.850
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.946
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.171
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.697
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.870
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.069
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.553
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.914
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.140
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.173
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.684
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.905
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.433
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.834
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.860
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.365
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.905
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.003
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.275
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.383
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.858
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.147
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.383
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.786
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.147
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.260
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.668
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.918
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 19.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 20.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 20.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 21.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 22.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 22.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 22.41
%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 : 0.345600
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= 0.641 for 199 C-alpha atoms.
Bfactors> = 1.639 +/- 3.05
Bfactors> = 21.485 +/- 10.57
Bfactors> Shiftng-fct= 19.846
Bfactors> Scaling-fct= 3.472
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402181508163317633 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=0
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=100
2402181508163317633.eigenfacs
2402181508163317633.atom
making animated gifs
11 models are in 2402181508163317633.7.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 2402181508163317633.7.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 2402181508163317633.7.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 2402181508163317633 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=0
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=100
2402181508163317633.eigenfacs
2402181508163317633.atom
making animated gifs
11 models are in 2402181508163317633.8.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 2402181508163317633.8.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 2402181508163317633.8.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 2402181508163317633 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=0
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=100
2402181508163317633.eigenfacs
2402181508163317633.atom
making animated gifs
11 models are in 2402181508163317633.9.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 2402181508163317633.9.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 2402181508163317633.9.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 2402181508163317633 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=0
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=100
2402181508163317633.eigenfacs
2402181508163317633.atom
making animated gifs
11 models are in 2402181508163317633.10.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 2402181508163317633.10.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 2402181508163317633.10.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 2402181508163317633 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=0
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=100
2402181508163317633.eigenfacs
2402181508163317633.atom
making animated gifs
11 models are in 2402181508163317633.11.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 2402181508163317633.11.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 2402181508163317633.11.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 2402181508163317633 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=0
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=100
2402181508163317633.eigenfacs
2402181508163317633.atom
making animated gifs
11 models are in 2402181508163317633.12.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 2402181508163317633.12.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 2402181508163317633.12.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 2402181508163317633 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=0
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=100
2402181508163317633.eigenfacs
2402181508163317633.atom
making animated gifs
11 models are in 2402181508163317633.13.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 2402181508163317633.13.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 2402181508163317633.13.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 2402181508163317633 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=0
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=100
2402181508163317633.eigenfacs
2402181508163317633.atom
making animated gifs
11 models are in 2402181508163317633.14.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 2402181508163317633.14.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 2402181508163317633.14.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 2402181508163317633 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=0
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=100
2402181508163317633.eigenfacs
2402181508163317633.atom
making animated gifs
11 models are in 2402181508163317633.15.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 2402181508163317633.15.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 2402181508163317633.15.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 2402181508163317633 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=-20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=0
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=20
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=40
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=60
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=80
2402181508163317633.eigenfacs
2402181508163317633.atom
calculating perturbed structure for DQ=100
2402181508163317633.eigenfacs
2402181508163317633.atom
making animated gifs
11 models are in 2402181508163317633.16.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 2402181508163317633.16.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 2402181508163317633.16.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
2402181508163317633.10.pdb
2402181508163317633.11.pdb
2402181508163317633.12.pdb
2402181508163317633.13.pdb
2402181508163317633.14.pdb
2402181508163317633.15.pdb
2402181508163317633.16.pdb
2402181508163317633.7.pdb
2402181508163317633.8.pdb
2402181508163317633.9.pdb
STDERR:
real 0m3.164s
user 0m3.151s
sys 0m0.012s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2402181508163317633.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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