*** ***
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 = 2402172223293206806.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 2402172223293206806.atom to be opened.
Openam> File opened: 2402172223293206806.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 = 179
First residue number = 97
Last residue number = 288
Number of atoms found = 201
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 3.374726 +/- 7.110814 From: -12.383000 To: 20.296000
= 15.443761 +/- 10.184302 From: -5.060000 To: 37.108000
= -12.123920 +/- 9.280278 From: -32.704000 To: 7.847000
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 10.4450 % Filled.
Pdbmat> 19021 non-zero elements.
Pdbmat> 1982 atom-atom interactions.
Pdbmat> Number per atom= 19.72 +/- 6.51
Maximum number = 36
Minimum number = 6
Pdbmat> Matrix trace = 39640.0
Pdbmat> Larger element = 133.531
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 201 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) = 603
Diagstd> Number of non-zero elements 19021
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 39640.0000006
%Diagstd-Wn: Nb on non-zero elements there: 603
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 603 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 39640.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6003431 0.7908504 0.8830319 0.9995689
1.1210412 1.4562123 1.6575559 2.0716324 2.2007732
2.2735914 2.4190452 2.9614302 3.2568426 3.4863911
3.5761160 3.8809842 4.1774041 4.3756686 4.4393843
4.8200045 4.9567431 5.1816818 5.3451782 5.5414367
5.7848845 6.1531061 6.1893807 6.7556251 6.8708659
7.0796153 7.2649285 7.4324667 7.7565089 7.9729320
8.3510954 8.6192718 8.7880405 9.0254221 9.2181196
9.5096429 9.8251759 9.9991046 10.3721152 10.7210159
10.9276436 10.9757647 11.2019584 11.3845934 11.4497686
11.7997420 12.0486303 12.1692226 12.2718150 12.7008559
13.0061071 13.0873720 13.1754668 13.6800617 13.9258465
14.2120953 14.5146694 14.5379192 15.1926142 15.2315057
15.3709212 15.6142656 15.7175629 15.7507977 15.9669122
16.3606730 16.5272150 16.9106729 17.0668769 17.1833924
17.6358565 17.8659875 18.0852352 18.4384113 18.9123039
19.1298526 19.1685323 19.2680236 19.7334775 20.2013880
20.3835972 20.4560842 20.6794336 21.0636144 21.3749356
21.3901059 21.4773226 21.8367717 21.9399694 21.9980224
22.1860746 22.2258180 22.7154745 22.9052810 23.2806387
23.6377584 24.1070055 24.3560067 24.6674481 24.8457140
24.9662544 25.2060451 25.3305300 25.5037887 25.7518098
25.9943237 26.3837659 26.7579697 26.7688501 26.9079930
27.0453343 27.2089504 27.6715923 27.7644773 28.0491549
28.2212202 28.3059910 28.4030708 28.6761623 28.7868724
29.0494343 29.2574757 29.3755516 29.5028846 29.7754850
30.0250187 30.2695930 30.3714677 30.5479175 30.7023433
31.0019884 31.1966954 31.6788404 31.7865512 31.8203876
32.1135414 32.2286488 32.3547573 32.5741197 32.9203484
33.2451440 33.2907180 33.3103438 33.5762907 33.8559061
34.2095643 34.2962518 34.4237563 34.4943012 34.8915446
35.1551662 35.4317881 35.6181046 35.7728326 35.9134723
36.0417238 36.1268795 36.5665695 36.8422399 36.9400518
36.9923965 37.0074142 37.0942563 37.5009166 37.6328960
37.7979824 37.8249647 37.8843821 37.9746071 38.3551030
38.4767293 38.7888629 39.0253004 39.0689834 39.2276375
39.4680337 39.5046585 39.6168587 39.8252511 39.9570829
40.2751803 40.3048479 40.7363458 40.9698239 41.0130939
41.0299078 41.3770961 41.4243849 41.4524887 41.5845149
41.7699554 41.9631938 42.2394470 42.3346132 42.5635062
42.9124905 43.1757527 43.4207282 43.5702532 43.6461374
43.7962660 44.0567523 44.1463485 44.2899560 44.5377524
44.6473406 44.6573448 44.9419563 45.0702113 45.1136166
45.4675114 45.4933432 45.5782521 45.6140346 45.9824725
46.2231183 46.2813175 46.5210106 46.7795520 46.8148978
47.0558003 47.1091540 47.3803003 47.6061187 47.7322657
48.0165957 48.1995545 48.5095810 48.6403296 48.6702148
48.7327765 48.9864883 49.1609940 49.3835577 49.5812098
49.6783699 49.9255491 50.0187161 50.1428734 50.2938527
50.5384656 50.5688288 50.9718931 51.2312095 51.4986477
51.8534175 52.1071197 52.2487444 52.4092686 52.6632466
52.8670868 52.9225447 53.1568151 53.2399905 53.3505043
53.4377207 53.5233403 53.5595485 53.8311286 53.9146497
53.9659208 54.1897045 54.2634471 54.4672022 54.6188490
54.7528669 54.9265027 55.1034384 55.3410601 55.6949173
56.1545525 56.2263815 56.4317322 56.6157508 56.6632061
56.9710204 57.0895075 57.1700307 57.5070779 57.5393377
57.6404561 57.8157625 58.0587877 58.2773958 58.3794885
58.4829982 58.7327660 59.0604440 59.1294631 59.1876303
59.2535086 59.4570296 59.6268823 59.9602116 60.0532408
60.2759044 60.3933630 60.6430920 61.1415813 61.2365282
61.6360571 61.8698808 62.2220810 62.7611241 62.8079944
63.0026107 63.2763272 63.5563878 63.6539035 63.8403787
63.9159560 64.1501895 64.5042165 64.6327625 64.8601400
65.0493302 65.4231792 65.5771530 65.8169176 66.0985433
66.3923932 66.6400972 66.9370780 67.0356471 67.3359470
67.4838947 67.5558866 67.7940550 67.8812717 68.1841750
68.3272993 68.6461366 68.9210786 69.1449192 69.3365127
69.4187654 69.6050662 69.9322250 70.1098887 70.4712936
70.5272242 70.9415627 70.9961031 71.1677981 71.3273592
71.4941431 71.7719827 72.2515283 72.5433185 72.5715935
72.8565246 73.1134641 73.2736263 73.3961510 73.5435770
73.9288625 74.2326705 74.3473924 74.4517437 74.7388215
74.9089024 74.9180832 75.1621226 75.4152276 75.6816321
75.9419895 76.1249338 76.5171428 76.8041822 77.3730961
77.6620904 77.7788190 77.8036854 77.9251887 78.4549111
78.6221851 78.6638113 79.0465877 79.4123712 79.5269233
79.8365445 80.1807510 80.2117428 80.4583325 80.5962102
80.6399507 80.8919820 81.0592201 81.5833409 81.6660915
81.6924467 81.9298085 82.1700319 82.2413154 82.4209076
82.7323503 82.9689378 83.1509355 83.4782842 83.6648151
83.8859243 84.2497438 84.3447411 84.3567322 84.7570876
84.9605366 85.1171997 85.4429217 85.5865974 85.8032256
86.1492656 86.2252755 86.7958752 87.2411035 87.4583044
87.6344779 87.7942182 88.0452719 88.2143472 88.4168671
88.5082641 88.8246931 89.0656824 89.5388265 89.8069055
89.9524187 89.9895558 90.3496672 90.5732118 90.6401009
91.0124253 91.3522117 91.8521702 92.0720053 92.2648385
92.2983437 92.6016850 92.8291938 93.1923810 93.5250830
93.8872138 93.9945417 94.2031402 94.6641237 94.9383536
95.0673438 95.4081788 95.8995675 96.1977232 96.3917260
96.9228569 96.9406361 97.3419682 97.4204444 97.5945449
98.2169832 98.3086492 98.6130642 98.7459352 98.9355823
99.6299439 100.1300074 100.2185259 100.4897064 100.6117098
100.7460992 100.8396799 100.9516122 101.1817738 101.8143614
102.0586269 102.1767771 102.4143475 102.6458822 103.5521099
103.7204018 104.0985722 104.4711864 104.6253521 104.7211057
105.0997000 105.6728749 105.8937832 106.0579667 106.6607811
107.1615262 107.7493642 108.0686694 108.5019445 108.6383233
108.7679313 109.5455314 109.6873846 110.0551098 110.2653270
110.6607135 110.9788014 111.5695087 111.6768159 112.2846629
113.0401163 113.3245790 113.3622598 114.3442754 114.4148713
114.6505578 114.7430457 115.0314010 115.6361439 116.2444887
116.3760400 116.5148343 116.7013367 117.0947573 117.3754174
117.4483621 117.5544779 118.1716890 118.3180657 119.0497420
119.5029927 119.7760373 119.9578563 121.0573347 121.0895637
121.3656155 121.7880624 122.4067707 122.7993425 123.0980964
123.4232144 124.2452321 124.5826374 124.7165184 124.9341731
125.8766799 126.0770820 126.7280453 127.1083944 127.4814017
127.9121487 128.6627195 128.9264633 129.3294519 130.7639820
131.2368247 132.0832014 132.4712112 133.1990011 133.5549969
134.5055072 134.7859944 135.1080989 135.6924550 136.1669803
136.7242803 137.1374597 138.3102361 138.5176926 138.9317229
139.6808750 140.6805736 141.6571711 142.7372452 143.4479206
143.9803866 144.5855196 145.1072146 145.5829531 146.3675180
147.2324286 148.6138093 149.6675766 150.1139499 151.6318952
153.3486796 153.6002436 154.4023784 157.0465158 158.4883050
158.6705426 160.4118760 162.6132255 164.9323248 168.8202692
170.2226436 174.5579947 176.5028997 179.2658533 180.3197997
184.0611590 189.6982160 195.0297237
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034128 0.0034282 0.0034318 0.0034406 0.0034490
0.0034551 84.1385538 96.5700466 102.0430580 108.5679523
114.9757009 131.0411278 139.8071482 156.2973536 161.0953216
163.7387571 168.8951846 186.8727741 195.9718381 202.7604910
205.3530128 213.9273029 221.9466150 227.1524848 228.8003334
238.4069999 241.7650309 247.1898584 251.0593351 255.6268509
261.1816285 269.3658171 270.1586499 282.2461662 284.6433338
288.9349713 292.6920683 296.0477512 302.4324784 306.6227041
313.8101627 318.8089969 321.9150671 326.2338652 329.6981036
334.8708809 340.3811083 343.3806647 349.7268265 355.5602892
358.9703192 359.7598346 363.4479787 366.3988007 367.4460932
373.0195008 376.9329648 378.8145902 380.4080338 387.0007222
391.6236795 392.8452476 394.1652057 401.6421733 405.2341915
409.3778455 413.7127019 414.0439147 423.2641976 423.8056076
425.7407578 429.0975764 430.5145996 430.9695204 433.9160850
439.2339111 441.4638216 446.5557896 448.6134683 450.1422057
456.0301524 458.9958861 461.8036495 466.2909959 472.2451427
474.9534999 475.4334251 476.6656597 482.3886634 488.0742381
490.2704242 491.1413866 493.8153666 498.3812885 502.0508276
502.2289558 503.2518156 507.4456066 508.6432546 509.3157423
511.4880767 511.9460036 517.5546164 519.7124163 523.9534755
527.9568454 533.1714838 535.9179736 539.3334944 541.2788045
542.5902380 545.1896905 546.5342941 548.4002332 551.0603437
553.6490275 557.7809435 561.7225500 561.8367435 563.2950478
564.7307781 566.4364272 571.2317727 572.1896940 575.1156304
576.8769332 577.7426942 578.7325756 581.5081359 582.6295693
585.2805876 587.3726316 588.5566826 589.8308997 592.5495902
595.0273432 597.4458802 598.4504120 600.1863099 601.7014275
604.6305052 606.5262156 611.1951767 612.2333531 612.5591239
615.3743366 616.4762207 617.6811576 619.7715321 623.0565866
626.1226139 626.5516256 626.7362837 629.2332135 631.8478341
635.1393963 635.9436126 637.1246518 637.7771502 641.4390238
643.8576466 646.3858117 648.0830792 649.4892174 650.7646878
651.9256328 652.6953306 656.6552028 659.1257726 660.0001440
660.4675941 660.6016445 661.3762788 664.9916955 666.1608416
667.6203861 667.8586361 668.3829832 669.1784163 672.5225588
673.5880198 676.3146645 678.3727715 678.7523333 680.1290999
682.2099125 682.5263714 683.4949318 685.2902322 686.4235385
689.1504224 689.4041979 693.0847045 695.0680552 695.4350038
695.5775408 698.5142724 698.9133156 699.1503595 700.2628709
701.8224980 703.4440292 705.7556962 706.5502885 708.4577868
711.3562318 713.5349316 715.5563356 716.7873330 717.4112591
718.6440313 720.7779961 721.5105301 722.6831099 724.7019476
725.5929894 725.6742773 727.9830488 729.0210648 729.3720256
732.2272251 732.4351986 733.1183895 733.4061108 736.3621214
738.2864550 738.7510943 740.6616365 742.7169057 742.9974444
744.9066685 745.3288515 747.4707196 749.2498557 750.2418819
752.4730731 753.9052926 756.3260201 757.3446033 757.5772281
758.0639741 760.0347231 761.3872645 763.1088101 764.6344133
765.3832409 767.2849954 768.0005841 768.9531651 770.1099469
771.9804576 772.2123235 775.2837161 777.2533185 779.2793942
781.9589819 783.8695856 784.9341229 786.1389782 788.0415105
789.5651479 789.9791688 791.7257251 792.3448962 793.1668320
793.8148937 794.4505771 794.7192518 796.7315640 797.3494044
797.7284412 799.3807237 799.9244470 801.4248673 802.5397497
803.5237399 804.7968245 806.0920348 807.8282145 810.4067729
813.7439370 814.2642124 815.7497906 817.0787496 817.4211158
819.6383667 820.4902570 821.0686927 823.4854508 823.7163940
824.4398672 825.6926319 827.4261878 828.9824731 829.7082778
830.4435091 832.2149387 834.5332291 835.0207123 835.4313275
835.8961330 837.3304491 838.5256100 840.8661282 841.5181841
843.0768183 843.8978634 845.6408393 849.1093312 849.7683672
852.5359564 854.1515237 856.5792429 860.2816054 860.6027772
861.9350740 863.8053944 865.7148825 866.3787688 867.6468763
868.1603054 869.7496289 872.1462794 873.0148674 874.5491484
875.8237031 878.3368478 879.3698255 880.9759444 882.8587479
884.8190046 886.4680579 888.4411292 889.0950318 891.0842475
892.0626367 892.5383368 894.1102753 894.6852248 896.6791579
897.6197671 899.7116220 901.5115872 902.9743568 904.2245161
904.7606899 905.9739406 908.1005804 909.2533692 911.5938823
911.9555612 914.6304495 914.9819696 916.0876847 917.1140627
918.1856752 919.9680654 923.0363395 924.8983176 925.0785475
926.8927933 928.5257683 929.5422253 930.3190694 931.2529361
933.6891072 935.6056215 936.3283019 936.9851696 938.7898878
939.8574687 939.9150613 941.4446644 943.0284681 944.6926246
946.3161795 947.4553324 949.8929246 951.6729273 955.1911020
956.9732944 957.6922047 957.8452832 958.5929079 961.8455665
962.8703979 963.1252579 965.4656875 967.6969275 968.3946260
970.2779143 972.3672882 972.5551916 974.0489758 974.8832099
975.1477140 976.6703836 977.6794591 980.8351549 981.3324629
981.4907976 982.9156502 984.3555812 984.7824587 985.8571184
987.7179841 989.1292512 990.2135162 992.1607388 993.2686036
994.5802416 996.7346925 997.2964773 997.3673663 999.7313079
1000.9304549 1001.8528639 1003.7679519 1004.6115357 1005.8821180
1007.9084125 1008.3529558 1011.6838650 1014.2753135 1015.5371305
1016.5594501 1017.4855219 1018.9392689 1019.9171455 1021.0872222
1021.6148372 1023.4394138 1024.8268144 1027.5453056 1029.0823895
1029.9157581 1030.1283380 1032.1874131 1033.4635517 1033.8450923
1035.9662906 1037.8983305 1040.7345948 1041.9792757 1043.0698520
1043.2592259 1044.9721713 1046.2550557 1048.2997549 1050.1693319
1052.2005049 1052.8017486 1053.9693228 1056.5449775 1058.0742090
1058.7927533 1060.6890447 1063.4170140 1065.0688348 1066.1422608
1069.0755168 1069.1735661 1071.3844578 1071.8162410 1072.7735372
1076.1890663 1076.6911533 1078.3568644 1079.0831077 1080.1188303
1083.9025127 1086.6192747 1087.0994736 1088.5692668 1089.2298765
1089.9570885 1090.4631888 1091.0682291 1092.3112952 1095.7205353
1097.0341338 1097.6689519 1098.9443015 1100.1858272 1105.0317498
1105.9293290 1107.9436343 1109.9247702 1110.7434135 1111.2515757
1113.2584967 1116.2900194 1117.4562076 1118.3221548 1121.4958222
1124.1253079 1127.2043042 1128.8732511 1131.1339591 1131.8446108
1132.5195678 1136.5606438 1137.2962860 1139.2010747 1140.2885544
1142.3311333 1143.9717380 1147.0122090 1147.5636729 1150.6824781
1154.5468963 1155.9986782 1156.1908490 1161.1878782 1161.5462806
1162.7420162 1163.2109106 1164.6715985 1167.7290402 1170.7966364
1171.4589311 1172.1572854 1173.0950319 1175.0707226 1176.4781215
1176.8436343 1177.3751597 1180.4619739 1181.1928538 1184.8394599
1187.0928003 1188.4481821 1189.3498668 1194.7879511 1194.9469839
1196.3082883 1198.3885220 1201.4286956 1203.3537091 1204.8166169
1206.4066060 1210.4173664 1212.0597811 1212.7108678 1213.7686151
1218.3383646 1219.3078075 1222.4515297 1224.2846283 1226.0796811
1228.1493351 1231.7473700 1233.0091938 1234.9347141 1241.7648114
1244.0078972 1248.0128978 1249.8446450 1253.2732328 1254.9469030
1259.4047109 1260.7171591 1262.2226578 1264.9493327 1267.1592070
1269.7496542 1271.6667925 1277.0927564 1278.0501763 1279.9588014
1283.4050791 1287.9895680 1292.4524158 1297.3702522 1300.5959844
1303.0075973 1305.7429220 1308.0964984 1310.2390613 1313.7648390
1317.6407519 1323.8075798 1328.4926121 1330.4722065 1337.1821231
1344.7306407 1345.8331842 1349.3427293 1360.8474162 1367.0798768
1367.8656189 1375.3509736 1384.7558623 1394.5952145 1410.9368444
1416.7849853 1434.7133925 1442.6839580 1453.9319045 1458.1996456
1473.2496835 1495.6394215 1516.5114127
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402172223293206806.eigenfacs
Openam> file on opening on unit 10:
2402172223293206806.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402172223293206806.atom
Openam> file on opening on unit 11:
2402172223293206806.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 = 179
First residue number = 97
Last residue number = 288
Number of atoms found = 201
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: 9.8770E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9663E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9876E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0038E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0088E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0124E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6003
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7909
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8830
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9996
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.121
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.658
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.072
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.201
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.274
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.961
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 3.257
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.486
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.576
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.881
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 4.177
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 4.376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.439
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.820
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 5.182
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 5.345
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.541
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 6.153
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 6.189
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.756
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 7.080
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 7.265
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.432
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.757
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.973
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 8.351
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 8.619
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.788
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 9.025
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 9.218
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 9.510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 9.825
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.999
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 10.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 10.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 10.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 11.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 11.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 11.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 11.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 12.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 12.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 12.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 12.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 13.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 13.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 13.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 13.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 14.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 14.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 14.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 15.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 15.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 15.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 15.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 16.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 16.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 17.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 17.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 17.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 17.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 18.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 18.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 18.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 19.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 19.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 19.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 19.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 20.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 20.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 20.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 20.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 21.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 21.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 21.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 21.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 21.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 21.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 22.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 22.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 22.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 22.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 22.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 23.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 23.64
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 603 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 : 0.600300
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= 0.540 for 201 C-alpha atoms.
Bfactors> = 1.402 +/- 2.38
Bfactors> = 17.557 +/- 5.14
Bfactors> Shiftng-fct= 16.155
Bfactors> Scaling-fct= 2.159
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402172223293206806 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=0
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=100
2402172223293206806.eigenfacs
2402172223293206806.atom
making animated gifs
11 models are in 2402172223293206806.7.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 2402172223293206806.7.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 2402172223293206806.7.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 2402172223293206806 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=0
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=100
2402172223293206806.eigenfacs
2402172223293206806.atom
making animated gifs
11 models are in 2402172223293206806.8.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 2402172223293206806.8.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 2402172223293206806.8.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 2402172223293206806 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=0
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=100
2402172223293206806.eigenfacs
2402172223293206806.atom
making animated gifs
11 models are in 2402172223293206806.9.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 2402172223293206806.9.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 2402172223293206806.9.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 2402172223293206806 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=0
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=100
2402172223293206806.eigenfacs
2402172223293206806.atom
making animated gifs
11 models are in 2402172223293206806.10.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 2402172223293206806.10.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 2402172223293206806.10.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 2402172223293206806 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=0
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=100
2402172223293206806.eigenfacs
2402172223293206806.atom
making animated gifs
11 models are in 2402172223293206806.11.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 2402172223293206806.11.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 2402172223293206806.11.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 2402172223293206806 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=0
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=100
2402172223293206806.eigenfacs
2402172223293206806.atom
making animated gifs
11 models are in 2402172223293206806.12.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 2402172223293206806.12.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 2402172223293206806.12.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 2402172223293206806 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=0
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=100
2402172223293206806.eigenfacs
2402172223293206806.atom
making animated gifs
11 models are in 2402172223293206806.13.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 2402172223293206806.13.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 2402172223293206806.13.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 2402172223293206806 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=0
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=100
2402172223293206806.eigenfacs
2402172223293206806.atom
making animated gifs
11 models are in 2402172223293206806.14.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 2402172223293206806.14.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 2402172223293206806.14.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 2402172223293206806 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=0
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=100
2402172223293206806.eigenfacs
2402172223293206806.atom
making animated gifs
11 models are in 2402172223293206806.15.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 2402172223293206806.15.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 2402172223293206806.15.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 2402172223293206806 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=-20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=0
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=20
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=40
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=60
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=80
2402172223293206806.eigenfacs
2402172223293206806.atom
calculating perturbed structure for DQ=100
2402172223293206806.eigenfacs
2402172223293206806.atom
making animated gifs
11 models are in 2402172223293206806.16.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 2402172223293206806.16.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 2402172223293206806.16.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
2402172223293206806.10.pdb
2402172223293206806.11.pdb
2402172223293206806.12.pdb
2402172223293206806.13.pdb
2402172223293206806.14.pdb
2402172223293206806.15.pdb
2402172223293206806.16.pdb
2402172223293206806.7.pdb
2402172223293206806.8.pdb
2402172223293206806.9.pdb
STDERR:
real 0m3.228s
user 0m3.224s
sys 0m0.004s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2402172223293206806.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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