*** ***
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 = 2404111610033706944.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 2404111610033706944.atom to be opened.
Openam> File opened: 2404111610033706944.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 183
First residue number = 97
Last residue number = 291
Number of atoms found = 183
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 125.163541 +/- 9.517964 From: 104.174000 To: 144.873000
= -28.749956 +/- 8.024633 From: -46.624000 To: -8.704000
= -263.893115 +/- 9.695327 From: -284.180000 To: -243.328000
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 10.0116 % Filled.
Pdbmat> 15115 non-zero elements.
Pdbmat> 1558 atom-atom interactions.
Pdbmat> Number per atom= 17.03 +/- 5.32
Maximum number = 29
Minimum number = 6
Pdbmat> Matrix trace = 31160.0
Pdbmat> Larger element = 107.258
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 183 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) = 549
Diagstd> Number of non-zero elements 15115
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 31160.0000005
%Diagstd-Wn: Nb on non-zero elements there: 549
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 549 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 31160.0000005
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3046881 0.7494778 0.8365246 0.9322472
1.1250673 1.5190636 1.6091552 2.0424568 2.2129395
2.3102315 2.5643781 2.6088857 2.9328997 3.2020401
3.3188942 3.5086785 3.5703434 3.6648143 3.8270661
3.9046704 4.2415719 4.6360630 4.7285942 4.9623183
5.0588103 5.2312144 5.4128788 5.6080060 5.8622843
6.2113544 6.5086454 6.9484795 7.1787760 7.2023888
7.5737288 7.7762169 7.8186063 8.0775120 8.2015468
8.7245560 8.8249719 8.9775271 9.4207876 9.5098562
9.6741476 9.8280011 10.1638830 10.2801071 10.5622810
10.6880474 11.1112347 11.1235235 11.3199967 11.4828595
11.7637159 12.0060161 12.3811030 12.4809870 12.5683907
12.9866603 13.1679302 13.5112324 13.7845826 14.0509463
14.2726447 14.6057860 14.8188625 14.8362783 15.0620619
15.1458159 15.3343831 15.4443743 15.8170980 15.9670255
16.1400408 16.3266273 16.5066596 16.7561803 16.8663107
17.1939905 17.4382575 17.5130588 17.8744151 18.1024494
18.3886280 18.6785863 18.7302348 19.2565780 19.5549262
19.7642076 19.8656989 20.0963063 20.1874692 20.4732447
20.6503969 20.7959566 21.1663476 21.3636096 21.5433917
21.6672293 21.9070331 22.0423748 22.4907306 22.6959296
22.9440292 23.0564827 23.2376237 23.6710917 23.9408425
23.9684819 24.2073349 24.4236392 24.9173340 24.9584816
25.4798397 25.5318128 25.6247157 25.6717716 25.7753215
25.9818335 26.3699698 26.4932508 26.5975781 26.7884521
27.0565061 27.3515212 27.4862202 27.6354383 27.7801130
27.9458797 28.0381291 28.1987243 28.2884429 28.3819389
28.5149483 28.6249459 28.7219753 29.0015255 29.1147592
29.3844807 29.4827436 29.5493550 29.8908182 30.1081972
30.3710802 30.5690096 30.6758907 30.8719625 30.9588979
31.3471967 31.6436514 31.7805707 31.9514200 32.0113978
32.1951346 32.2569278 32.4001084 32.7153266 32.8015375
33.0845533 33.3160139 33.4872010 33.9183937 34.0685419
34.3503959 34.4368731 34.6129645 34.6971841 34.9394271
35.0207529 35.1282710 35.4042412 35.6074977 35.7469451
36.1289616 36.2743055 36.4421671 36.5924713 36.7717191
36.9648203 37.2099792 37.3173368 37.5880321 37.6306913
37.9698486 38.0578130 38.2038451 38.5416712 38.5621389
38.7890948 38.9999014 39.2055449 39.5423147 39.7516249
39.8159853 40.0227637 40.1488490 40.3908963 40.4561611
40.6966096 40.8292260 40.8625226 41.1216175 41.2541607
41.4847908 41.7105638 41.8687238 42.0060047 42.1500581
42.4865997 42.5795763 42.6477946 42.7570508 42.9400912
43.1525694 43.3350829 43.4968262 43.5444077 43.6741854
43.8301945 43.9759591 44.1048766 44.1737408 44.3298498
44.4969849 45.0056713 45.0869381 45.3215236 45.4833934
45.5628719 45.6730328 45.7544318 45.8509857 46.1697154
46.2398053 46.3066211 46.5386406 46.6378397 47.0304601
47.1301264 47.3554197 47.6716577 47.7725289 47.9271517
48.0219575 48.2795539 48.4650337 48.4950848 48.7756949
49.1041261 49.1399874 49.2567782 49.4094802 49.5861280
49.8178594 50.1703425 50.2545940 50.4225749 50.5772421
50.7197344 51.0647665 51.2874630 51.3094918 51.5242399
51.6348647 51.8595981 52.0385246 52.1864430 52.5325434
52.7561748 52.8439963 52.9015087 53.0746316 53.3209701
53.4166803 53.4838412 53.7400062 53.7835244 54.1253466
54.3018216 54.5416457 54.7283862 54.8688491 54.9229890
55.0995893 55.4012958 55.6833020 55.8103857 56.2250224
56.3174473 56.5026771 56.5924526 56.7942991 57.0219607
57.0945912 57.2307439 57.3768606 57.5420652 57.7995230
58.1764449 58.3367608 58.4678120 58.6234681 58.7506185
59.0533155 59.2655776 59.5090804 59.6521864 59.9415349
60.1535161 60.3229214 60.3788113 60.4720125 60.7193606
60.7392687 61.2032749 61.4824826 61.6351548 62.0056172
62.0356913 62.1366081 62.2791268 62.7347203 62.9193453
63.1467984 63.2186269 63.2791462 63.5263430 63.6198982
63.8089065 63.9414316 64.4920669 64.6513949 64.8455630
64.9257223 65.2805321 65.4320405 65.5004103 65.6702461
66.0923244 66.2833230 66.4194838 66.5801363 66.6603456
66.9116202 67.0236834 67.1525986 67.6896370 67.8451772
67.9323861 68.1947902 68.4658078 68.6401203 68.8026503
68.9433817 69.0432851 69.3674824 69.6373257 69.8042261
70.0136844 70.1564885 70.3372645 70.4814176 70.6464609
70.8631759 71.2119437 71.4606522 71.5495345 71.6926467
72.4488663 72.6465533 72.7978002 73.0004178 73.2873270
73.5344908 73.8419032 73.9331921 74.1289983 74.4655098
74.7398168 75.0215751 75.2878808 75.5265469 75.9069934
76.1658431 76.2444097 76.5192287 76.9964066 77.1133179
77.1752864 77.3769224 77.8004645 77.9306848 78.0782321
78.3020042 78.4867118 78.5127870 78.7362176 78.9898600
79.4659336 79.6010106 80.1811390 80.3532967 80.5332220
80.6296829 81.1519710 81.4222259 81.4554866 81.6472627
81.8489113 82.3984751 82.5652096 83.0119247 83.2557251
83.5048126 83.5261855 83.7725463 84.1521901 84.3900079
84.6925049 84.9384980 85.1101431 85.1707667 85.5843601
86.0468033 86.6077882 86.8152481 86.9715309 87.2717004
87.4460630 87.9326118 88.6685134 88.8676582 89.3268771
89.5487895 89.7484167 90.5161369 90.6546536 91.0124106
91.0671556 91.6066505 91.7894967 91.9806434 92.3032835
92.7271885 92.8391009 93.1350298 93.6122108 94.1330391
94.2094684 94.3938097 95.1465874 95.4097042 95.4809144
95.8004269 95.9188593 96.4364365 96.7253284 96.9943158
97.3413323 97.7114580 98.0889020 98.6966736 98.7890958
99.2937013 100.1329498 100.1598600 100.6454998 100.7585110
101.1060887 101.4332087 101.7218628 102.3800133 102.6840839
103.0906397 103.4909423 104.2853562 104.3860775 104.9636907
105.3057844 106.0429320 106.5337761 106.8150197 107.2643649
107.5657680 107.9919278 108.5173477 108.8971498 109.2119238
109.6862120 110.1025051 110.7954852 111.0861662 111.5217827
111.7333223 112.3230859 112.3843818 112.9934740 113.2352178
114.0272275 114.4954673 115.1856293 115.7049283 116.8199948
117.0144506 117.4618660 118.0159583 118.7372152 119.4303876
119.6625593 120.0895387 120.8383985 121.8801485 122.4735793
123.3111779 124.3059820 125.2480499 126.0664551 126.9656453
127.5147476 128.8021183 129.1521923 130.3795312 131.1287420
132.2302138 132.6996938 133.6367688 134.2584999 135.7289910
136.2459396 137.7189283 138.0086424 139.5829662 141.5974842
143.2641041 144.7862413 145.0332342 147.6202259 149.9944383
150.9867248 152.8484239 154.9297386 161.2791973
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034242 0.0034291 0.0034345 0.0034365 0.0034418
0.0034439 59.9408657 94.0101323 99.3195283 104.8481621
115.1819787 133.8391792 137.7508371 155.1928552 161.5399900
165.0528522 173.8946841 175.3972591 185.9704257 194.3160447
197.8299247 203.4075510 205.1872046 207.8840960 212.4360721
214.5791260 223.6447453 233.8136937 236.1355116 241.9009595
244.2415098 248.3685139 252.6442568 257.1576889 262.9230841
270.6377875 277.0387933 286.2464912 290.9514197 291.4295333
298.8478644 302.8164497 303.6406779 308.6271206 310.9876645
320.7502086 322.5907769 325.3671043 333.3027419 334.8746373
337.7548811 340.4300422 346.1984412 348.1722062 352.9182680
355.0131718 361.9732194 362.1733320 365.3578398 367.9766870
372.4496278 376.2657967 382.0981623 383.6363466 384.9772944
391.3307913 394.0524561 399.1560918 403.1736033 407.0502890
410.2489773 415.0092213 418.0254413 418.2710115 421.4416890
422.6117985 425.2344443 426.7567892 431.8756149 433.9176238
436.2622095 438.7766624 441.1892050 444.5112871 445.9696742
450.2809992 453.4681862 454.4397195 459.1041301 462.0233783
465.6610825 469.3180767 469.9664885 476.5240639 480.2013433
482.7641188 484.0020540 486.8031739 487.9060669 491.3473505
493.4685525 495.2046704 499.5951833 501.9177989 504.0252792
505.4718444 508.2613230 509.8289257 514.9879436 517.3319109
520.1518210 521.4249504 523.4692046 528.3289688 531.3308042
531.6374233 534.2798187 536.6615345 542.0583852 542.5057685
548.1426889 548.7014481 549.6988248 550.2033125 551.3118476
553.5159989 557.6350930 558.9370588 560.0364916 562.0424139
564.8474043 567.9185085 569.3152159 570.8584821 572.3507873
574.0558843 575.0025835 576.6469654 577.5635823 578.5172466
579.8712465 580.9886091 581.9724583 584.7977620 585.9382930
588.6461262 589.6295327 590.2952426 593.6960806 595.8509772
598.4465942 600.3934761 601.4421638 603.3612287 604.2101635
607.9874782 610.8556234 612.1757562 613.8190495 614.3948966
616.1556038 616.7466242 618.1139025 621.1134165 621.9312519
624.6085398 626.7896223 628.3978703 632.4306639 633.8289239
636.4454026 637.2460250 638.8732119 639.6499869 641.8790043
642.6255955 643.6113108 646.1344924 647.9865739 649.2541690
652.7141381 654.0257286 655.5372545 656.8877312 658.4946448
660.2213736 662.4071227 663.3620181 665.7636426 666.1413284
669.1364886 669.9111310 671.1951632 674.1562290 674.3352118
676.3166860 678.1519813 679.9375519 682.8515890 684.6564805
685.2105073 686.9874727 688.0687440 690.1397236 690.6970722
692.7465876 693.8743828 694.1572553 696.3544815 697.4758233
699.4227149 701.3233687 702.6517659 703.8027650 705.0085255
707.8174541 708.5915160 709.1589184 710.0667080 711.5849618
713.3433384 714.8502878 716.1830936 716.5747061 717.6417338
718.9223398 720.1167955 721.1715505 721.7343398 723.0085120
724.3701953 728.4989030 729.1563322 731.0507566 732.3550987
732.9946851 733.8802589 734.5339327 735.3085543 737.8598494
738.4197070 738.9530165 740.8019670 741.5910722 744.7060706
745.4947381 747.2744353 749.7654213 750.5582381 751.7719029
752.5150839 754.5306825 755.9786659 756.2130052 758.3977103
760.9467622 761.2245752 762.1286382 763.3090700 764.6723362
766.4570291 769.1637587 769.8093197 771.0948276 772.2765580
773.3636681 775.9896976 777.6799259 777.8469206 779.4730013
780.3093340 782.0055827 783.3534634 784.4660061 787.0629961
788.7364829 789.3927019 789.8221504 791.1134613 792.9472577
793.6586013 794.1573793 796.0569463 796.3792015 798.9058945
800.2072455 801.9723575 803.3440866 804.3743355 804.7710819
806.0638808 808.2677329 810.3222621 811.2464181 814.2543715
814.9233480 816.2624022 816.9106129 818.3661403 820.0047226
820.5267876 821.5045548 822.5525846 823.7359172 825.5766619
828.2641600 829.4045921 830.3356818 831.4402292 832.3414098
834.4828644 835.9812581 837.6968834 838.7035156 840.7351599
842.2204632 843.4055669 843.7961888 844.4471831 846.1724382
846.3111438 849.5376114 851.4731902 852.5297160 855.0879721
855.2953157 855.9907103 856.9718131 860.1006248 861.3653106
862.9208218 863.4114618 863.8246357 865.5102346 866.1473185
867.4329822 868.3333033 872.0641397 873.1406946 874.4508671
874.9911795 877.3787730 878.3963291 878.8551268 879.9937795
882.8172148 884.0919102 884.9995062 886.0691581 886.6027232
888.2721648 889.0156904 889.8702585 893.4214452 894.4473275
895.0220091 896.7489548 898.5291038 899.6721945 900.7367120
901.6574415 902.3104843 904.4264326 906.1838592 907.2691391
908.6293200 909.5554952 910.7265912 911.6593604 912.7261329
914.1249997 916.3717667 917.9705912 918.5412969 919.4594632
924.2960078 925.5561849 926.5191678 927.8076584 929.6291245
931.1954068 933.1398172 933.7164476 934.9520670 937.0717896
938.7961388 940.5640373 942.2319282 943.7242067 946.0981106
947.7098779 948.1985424 949.9058717 952.8630995 953.5862388
953.9693143 955.2147197 957.8254564 958.6267126 959.5337743
960.9078014 962.0404827 962.2002762 963.5684118 965.1191929
968.0232212 968.8455997 972.3696411 973.4129733 974.5021858
975.0856296 978.2386470 979.8661744 980.0662898 981.2193290
982.4302670 985.7229490 986.7197572 989.3854560 990.8372698
992.3183747 992.4453572 993.9078904 996.1574602 997.5640601
999.3503506 1000.8006268 1001.8113334 1002.1680632 1004.5984046
1007.3088520 1010.5871090 1011.7967632 1012.7070602 1014.4531596
1015.4660567 1018.2871577 1022.5392654 1023.6869060 1026.3284217
1027.6024711 1028.7472280 1033.1378809 1033.9280833 1035.9662068
1036.2777329 1039.3427289 1040.3794724 1041.4621759 1043.2871433
1045.6800592 1046.3108847 1047.9771398 1050.6583857 1053.5770950
1054.0047228 1055.0354134 1059.2339408 1060.6975237 1061.0932823
1062.8671939 1063.5239711 1066.3894925 1067.9855749 1069.4695462
1071.3809583 1073.4159079 1075.4871279 1078.8139116 1079.3189083
1082.0719279 1086.6352402 1086.7812440 1089.4127677 1090.0242269
1091.9026885 1093.6676400 1095.2226900 1098.7600769 1100.3905362
1102.5667658 1104.7053336 1108.9371801 1109.4725700 1112.5379307
1114.3494265 1118.2428859 1120.8279197 1122.3064084 1124.6645680
1126.2435621 1128.4723627 1131.2142454 1133.1920964 1134.8286958
1137.2902067 1139.4463470 1143.0265339 1144.5249633 1146.7668542
1147.8539587 1150.8793392 1151.1933196 1154.3086787 1155.5428112
1159.5769201 1161.9553160 1165.4521034 1168.0762911 1173.6912627
1174.6677058 1176.9112879 1179.6838909 1183.2832304 1186.7321312
1187.8850699 1190.0024855 1193.7070551 1198.8414980 1201.7565158
1205.8589284 1210.7132483 1215.2923571 1219.2564191 1223.5969686
1226.2400265 1232.4144536 1234.0881196 1239.9380510 1243.4955278
1248.7072415 1250.9220291 1255.3310283 1258.2477877 1265.1196186
1267.5265485 1274.3599010 1275.6996084 1282.9552013 1292.1801009
1299.7624149 1306.6489601 1307.7630008 1319.3748858 1329.9424804
1334.3343386 1342.5354516 1351.6451000 1379.0641124
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404111610033706944.eigenfacs
Openam> file on opening on unit 10:
2404111610033706944.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404111610033706944.atom
Openam> file on opening on unit 11:
2404111610033706944.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 183
First residue number = 97
Last residue number = 291
Number of atoms found = 183
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: 9.9433E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9717E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0015E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0046E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0058E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7495
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8365
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9322
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.125
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.519
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.609
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.213
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.310
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.564
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.609
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.933
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.202
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.319
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.509
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.570
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.665
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.827
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.905
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.242
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.636
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.729
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.962
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.231
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.413
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.862
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.211
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.509
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.948
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.179
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.202
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.776
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.819
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.078
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.202
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.725
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.825
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.978
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.421
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.674
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.828
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.65
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: 21.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.67
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 549 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 : 0.304700
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= 0.599 for 183 C-alpha atoms.
Bfactors> = 1.781 +/- 2.92
Bfactors> = 27.127 +/- 13.78
Bfactors> Shiftng-fct= 25.346
Bfactors> Scaling-fct= 4.722
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404111610033706944 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=0
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=100
2404111610033706944.eigenfacs
2404111610033706944.atom
making animated gifs
11 models are in 2404111610033706944.7.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 2404111610033706944.7.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 2404111610033706944.7.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 2404111610033706944 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=0
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=100
2404111610033706944.eigenfacs
2404111610033706944.atom
making animated gifs
11 models are in 2404111610033706944.8.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 2404111610033706944.8.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 2404111610033706944.8.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 2404111610033706944 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=0
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=100
2404111610033706944.eigenfacs
2404111610033706944.atom
making animated gifs
11 models are in 2404111610033706944.9.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 2404111610033706944.9.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 2404111610033706944.9.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 2404111610033706944 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=0
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=100
2404111610033706944.eigenfacs
2404111610033706944.atom
making animated gifs
11 models are in 2404111610033706944.10.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 2404111610033706944.10.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 2404111610033706944.10.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 2404111610033706944 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=0
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=100
2404111610033706944.eigenfacs
2404111610033706944.atom
making animated gifs
11 models are in 2404111610033706944.11.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 2404111610033706944.11.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 2404111610033706944.11.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 2404111610033706944 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=0
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=100
2404111610033706944.eigenfacs
2404111610033706944.atom
making animated gifs
11 models are in 2404111610033706944.12.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 2404111610033706944.12.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 2404111610033706944.12.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 2404111610033706944 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=0
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=100
2404111610033706944.eigenfacs
2404111610033706944.atom
making animated gifs
11 models are in 2404111610033706944.13.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 2404111610033706944.13.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 2404111610033706944.13.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 2404111610033706944 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=0
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=100
2404111610033706944.eigenfacs
2404111610033706944.atom
making animated gifs
11 models are in 2404111610033706944.14.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 2404111610033706944.14.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 2404111610033706944.14.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 2404111610033706944 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=0
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=100
2404111610033706944.eigenfacs
2404111610033706944.atom
making animated gifs
11 models are in 2404111610033706944.15.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 2404111610033706944.15.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 2404111610033706944.15.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 2404111610033706944 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=-20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=0
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=20
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=40
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=60
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=80
2404111610033706944.eigenfacs
2404111610033706944.atom
calculating perturbed structure for DQ=100
2404111610033706944.eigenfacs
2404111610033706944.atom
making animated gifs
11 models are in 2404111610033706944.16.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 2404111610033706944.16.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 2404111610033706944.16.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
2404111610033706944.10.pdb
2404111610033706944.11.pdb
2404111610033706944.12.pdb
2404111610033706944.13.pdb
2404111610033706944.14.pdb
2404111610033706944.15.pdb
2404111610033706944.16.pdb
2404111610033706944.7.pdb
2404111610033706944.8.pdb
2404111610033706944.9.pdb
STDERR:
real 0m2.401s
user 0m2.393s
sys 0m0.008s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404111610033706944.Chkmod.res: No such file or directory
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
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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
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
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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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