*** ***
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 = 2404111624423721609.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 2404111624423721609.atom to be opened.
Openam> File opened: 2404111624423721609.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:
= 125.163459 +/- 9.518085 From: 104.174000 To: 144.873000
= -28.750082 +/- 8.024690 From: -46.624000 To: -8.704000
= -263.893005 +/- 9.695325 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 0.3046871 0.7494849 0.8365263 0.9322464
1.1250626 1.5190533 1.6091278 2.0424614 2.2129377
2.3102506 2.5643718 2.6088580 2.9329077 3.2020523
3.3188708 3.5086780 3.5703247 3.6647886 3.8269883
3.9047672 4.2416558 4.6362670 4.7285828 4.9623122
5.0588753 5.2316695 5.4128977 5.6079481 5.8621395
6.2112970 6.5086518 6.9484868 7.1788501 7.2024758
7.5736867 7.7761869 7.8187303 8.0776186 8.2014863
8.7244464 8.8246019 8.9769366 9.4209061 9.5098726
9.6742289 9.8279660 10.1639021 10.2802843 10.5620487
10.6879922 11.1111901 11.1235055 11.3199802 11.4829492
11.7637543 12.0055296 12.3812438 12.4807640 12.5683327
12.9867580 13.1670898 13.5110548 13.7846477 14.0509661
14.2726283 14.6057523 14.8187530 14.8360950 15.0618834
15.1455134 15.3343425 15.4444839 15.8164757 15.9660246
16.1397362 16.3254512 16.5063251 16.7557707 16.8660947
17.1938336 17.4378949 17.5133203 17.8740302 18.1025214
18.3885857 18.6781582 18.7294237 19.2565047 19.5552590
19.7639570 19.8655322 20.0957571 20.1876593 20.4733453
20.6502763 20.7959367 21.1660988 21.3629904 21.5431586
21.6670939 21.9069823 22.0416835 22.4904264 22.6955763
22.9435005 23.0565063 23.2373299 23.6711321 23.9402104
23.9682970 24.2072694 24.4236288 24.9163326 24.9571923
25.4795308 25.5312207 25.6240938 25.6717255 25.7749771
25.9815284 26.3693640 26.4932238 26.5971884 26.7883017
27.0559211 27.3515602 27.4850275 27.6342679 27.7792071
27.9457639 28.0376661 28.1979196 28.2881146 28.3810151
28.5147688 28.6245203 28.7219503 29.0012927 29.1147765
29.3839468 29.4796869 29.5472864 29.8904178 30.1075244
30.3705574 30.5686585 30.6753891 30.8716902 30.9577724
31.3469521 31.6435533 31.7799446 31.9508312 32.0111774
32.1941924 32.2564438 32.3997841 32.7140906 32.8015247
33.0842250 33.3168871 33.4867143 33.9175300 34.0667613
34.3499376 34.4364566 34.6126620 34.6941783 34.9385579
35.0206638 35.1282779 35.4042547 35.6070201 35.7458597
36.1289316 36.2741656 36.4419538 36.5920727 36.7714817
36.9646984 37.2101339 37.3169878 37.5879108 37.6305867
37.9697968 38.0545493 38.2035588 38.5409113 38.5618711
38.7886352 38.9994531 39.2047712 39.5419093 39.7512681
39.8163480 40.0234328 40.1481457 40.3906262 40.4563087
40.6959241 40.8291921 40.8620973 41.1218637 41.2539562
41.4845441 41.7105729 41.8678542 42.0054867 42.1498940
42.4858671 42.5800512 42.6474047 42.7570327 42.9394872
43.1521733 43.3346673 43.4961105 43.5445358 43.6737667
43.8305173 43.9764815 44.1041521 44.1733151 44.3292427
44.4960085 45.0044380 45.0862872 45.3215584 45.4820044
45.5624884 45.6733424 45.7546111 45.8506897 46.1676756
46.2384165 46.3051490 46.5375852 46.6362783 47.0308069
47.1288466 47.3553882 47.6706877 47.7712245 47.9220763
48.0200894 48.2792635 48.4645421 48.4953626 48.7737586
49.1026130 49.1397911 49.2560074 49.4094734 49.5854997
49.8179656 50.1705048 50.2534931 50.4214928 50.5773480
50.7215340 51.0648069 51.2871109 51.3091442 51.5242214
51.6352951 51.8570054 52.0382885 52.1864295 52.5322910
52.7551222 52.8435410 52.9016246 53.0761238 53.3208330
53.4154673 53.4820375 53.7400168 53.7833482 54.1256987
54.3014048 54.5412355 54.7274630 54.8688964 54.9239263
55.1001793 55.4018621 55.6831210 55.8103850 56.2255243
56.3186443 56.5018641 56.5914827 56.7935060 57.0225645
57.0948871 57.2282937 57.3767103 57.5415785 57.7973606
58.1758115 58.3373821 58.4677277 58.6232535 58.7500026
59.0544869 59.2655724 59.5087202 59.6503529 59.9400905
60.1565543 60.3240841 60.3750507 60.4704328 60.7258568
60.7387150 61.2032889 61.4840246 61.6344649 62.0040054
62.0351362 62.1374114 62.2789281 62.7346551 62.9198401
63.1497452 63.2232520 63.2789072 63.5266847 63.6193348
63.8074835 63.9408169 64.4913410 64.6497795 64.8438668
64.9259157 65.2799122 65.4339190 65.4990746 65.6695118
66.0914068 66.2830721 66.4195820 66.5775277 66.6604671
66.9111360 67.0232226 67.1528589 67.6881411 67.8444350
67.9314377 68.1946445 68.4645395 68.6396410 68.8048693
68.9438858 69.0439521 69.3672690 69.6352375 69.8078362
70.0129156 70.1568614 70.3340482 70.4800686 70.6478369
70.8643830 71.2124305 71.4631297 71.5507432 71.6929973
72.4481151 72.6482490 72.8016634 72.9980916 73.2862146
73.5340424 73.8408050 73.9323549 74.1286844 74.4645802
74.7390013 75.0207645 75.2860536 75.5287387 75.9089765
76.1663371 76.2465465 76.5175679 76.9969221 77.1164399
77.1798286 77.3762496 77.8072877 77.9315635 78.0777834
78.3030276 78.4883000 78.5136350 78.7373594 78.9904550
79.4687373 79.6024258 80.1815354 80.3539769 80.5366840
80.6285096 81.1521578 81.4192901 81.4585496 81.6491031
81.8477187 82.4004497 82.5658047 83.0132549 83.2568547
83.5084518 83.5278117 83.7776084 84.1545728 84.3918421
84.6912534 84.9419477 85.1122770 85.1735395 85.5857663
86.0474012 86.6102558 86.8152769 86.9746848 87.2724153
87.4470183 87.9330350 88.6689134 88.8738229 89.3265555
89.5495614 89.7516913 90.5148208 90.6553660 91.0145990
91.0637472 91.6065525 91.7887486 91.9804672 92.3023895
92.7251832 92.8412188 93.1390140 93.6163711 94.1344313
94.2086340 94.3942580 95.1471782 95.4075553 95.4825241
95.8001815 95.9191903 96.4387429 96.7263047 96.9904936
97.3359725 97.7115524 98.0870361 98.6968795 98.7880558
99.2944089 100.1299504 100.1601481 100.6454405 100.7613342
101.1092728 101.4370197 101.7245669 102.3782023 102.6860965
103.0892992 103.4913296 104.2841574 104.3867110 104.9638397
105.3021048 106.0413670 106.5307074 106.8122660 107.2690554
107.5670565 107.9925458 108.5144102 108.8983174 109.2105412
109.6843234 110.1003531 110.7992738 111.0840432 111.5202329
111.7418744 112.3240561 112.3845307 112.9946440 113.2297583
114.0259596 114.4963641 115.1853175 115.7020805 116.8133929
117.0161398 117.4629217 118.0221976 118.7370326 119.4312186
119.6611920 120.0843847 120.8393022 121.8796092 122.4709722
123.3143209 124.3069931 125.2465241 126.0647735 126.9658183
127.5145293 128.8013419 129.1527177 130.3794244 131.1295674
132.2274012 132.6995778 133.6334167 134.2575318 135.7286846
136.2472048 137.7183075 138.0109808 139.5837659 141.5977283
143.2710241 144.7910967 145.0343267 147.6199272 149.9986593
150.9972550 152.8487843 154.9378673 161.2847111
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034244 0.0034274 0.0034325 0.0034349 0.0034391
0.0034441 59.9407657 94.0105753 99.3196275 104.8481175
115.1817349 133.8387252 137.7496626 155.1930284 161.5399238
165.0535349 173.8944715 175.3963298 185.9706793 194.3164142
197.8292261 203.4075349 205.1866674 207.8833693 212.4339129
214.5817841 223.6469566 233.8188398 236.1352274 241.9008089
244.2430790 248.3793175 252.6446982 257.1563630 262.9198382
270.6365376 277.0389282 286.2466414 290.9529208 291.4312941
298.8470320 302.8158657 303.6430858 308.6291563 310.9865177
320.7481932 322.5840141 325.3564034 333.3048380 334.8749246
337.7563016 340.4294337 346.1987665 348.1752081 352.9143876
355.0122549 361.9724931 362.1730392 365.3575732 367.9781249
372.4502346 376.2581730 382.1003345 383.6329181 384.9764068
391.3322627 394.0398803 399.1534691 403.1745556 407.0505752
410.2487414 415.0087429 418.0238969 418.2684266 421.4391927
422.6075771 425.2338807 426.7583041 431.8671188 433.9040236
436.2580929 438.7608571 441.1847352 444.5058540 445.9668190
450.2789448 453.4634710 454.4431129 459.0991873 462.0242971
465.6605477 469.3126977 469.9563127 476.5231565 480.2054298
482.7610583 484.0000230 486.7965221 487.9083651 491.3485582
493.4671118 495.2044324 499.5922470 501.9105256 504.0225532
505.4702649 508.2607334 509.8209310 514.9844613 517.3278839
520.1458281 521.4252165 523.4658961 528.3294199 531.3237893
531.6353722 534.2790956 536.6614200 542.0474930 542.4917562
548.1393669 548.6950855 549.6921544 550.2028183 551.3081650
553.5127488 557.6286866 558.9367748 560.0323895 562.0408357
564.8412973 567.9189142 569.3028635 570.8463944 572.3414547
574.0546951 574.9978357 576.6387377 577.5602316 578.5078320
579.8694212 580.9842898 581.9722058 584.7954144 585.9384666
588.6407783 589.5989664 590.2745809 593.6921046 595.8443198
598.4414435 600.3900281 601.4372472 603.3585672 604.1991804
607.9851065 610.8546765 612.1697261 613.8133933 614.3927813
616.1465877 616.7419973 618.1108092 621.1016837 621.9311307
624.6054408 626.7978364 628.3933038 632.4226115 633.8123603
636.4411566 637.2421718 638.8704209 639.6222805 641.8710199
642.6247782 643.6113740 646.1346163 647.9822288 649.2443124
652.7138677 654.0244677 655.5353357 656.8841536 658.4925189
660.2202852 662.4084999 663.3589155 665.7625690 666.1404022
669.1360323 669.8824061 671.1926480 674.1495829 674.3328699
676.3126797 678.1480830 679.9308434 682.8480890 684.6534080
685.2136282 686.9932149 688.0627173 690.1374159 690.6983323
692.7407532 693.8740942 694.1536428 696.3565662 697.4740945
699.4206353 701.3234453 702.6444691 703.7984255 705.0071539
707.8113515 708.5954677 709.1556770 710.0665578 711.5799576
713.3400649 714.8468592 716.1772017 716.5757600 717.6382944
718.9249870 720.1210726 721.1656269 721.7308628 723.0035613
724.3622477 728.4889217 729.1510690 731.0510374 732.3439167
732.9915998 733.8827468 734.5353719 735.3061809 737.8435497
738.4086176 738.9412714 740.7935673 741.5786585 744.7088164
745.4846164 747.2741870 749.7577936 750.5479916 751.7320961
752.5004470 754.5284126 755.9748322 756.2151704 758.3826562
760.9350380 761.2230552 762.1226748 763.3090172 764.6674917
766.4578460 769.1650034 769.8008882 771.0865538 772.2773664
773.3773882 775.9900044 777.6772559 777.8442860 779.4728613
780.3125861 781.9860344 783.3516859 784.4659046 787.0611050
788.7286144 789.3893016 789.8230154 791.1245826 792.9462380
793.6495898 794.1439878 796.0570251 796.3778968 798.9084934
800.2041751 801.9693415 803.3373110 804.3746827 804.7779491
806.0681965 808.2718643 810.3209457 811.2464130 814.2580054
814.9320085 816.2565295 816.9036126 818.3604266 820.0090641
820.5289144 821.4869695 822.5515073 823.7324331 825.5612188
828.2596513 829.4090089 830.3350832 831.4387071 832.3370472
834.4911406 835.9812213 837.6943484 838.6906258 840.7250298
842.2417322 843.4136947 843.7699114 844.4361531 846.2177016
846.3072865 849.5377079 851.4838674 852.5249444 855.0768584
855.2914889 855.9962436 856.9704460 860.1001783 861.3686975
862.9409562 863.4430451 863.8230043 865.5125624 866.1434832
867.4233103 868.3291294 872.0592320 873.1297866 874.4394305
874.9924829 877.3746073 878.4089383 878.8461658 879.9888592
882.8110863 884.0902369 885.0001605 886.0518002 886.6035309
888.2689512 889.0126346 889.8719833 893.4115734 894.4424348
895.0157610 896.7479969 898.5207809 899.6690530 900.7512376
901.6607377 902.3148432 904.4250417 906.1702726 907.2925995
908.6243307 909.5579126 910.7057687 911.6506363 912.7350217
914.1327854 916.3748987 917.9865039 918.5490551 919.4617114
924.2912161 925.5669868 926.5437514 927.7928761 929.6220691
931.1925673 933.1328777 933.7111608 934.9500872 937.0659410
938.7910171 940.5589559 942.2204946 943.7378997 946.1104692
947.7129512 948.2118292 949.8955629 952.8662892 953.6055419
953.9973869 955.2105667 957.8674568 958.6321171 959.5310172
960.9140811 962.0502166 962.2054725 963.5753985 965.1228279
968.0402976 968.8542118 972.3720447 973.4170932 974.5231319
975.0785356 978.2397730 979.8485089 980.0847163 981.2303881
982.4231096 985.7347597 986.7233129 989.3933832 990.8439920
992.3399974 992.4550183 993.9379194 996.1715630 997.5749008
999.3429668 1000.8209503 1001.8238924 1002.1843762 1004.6066577
1007.3123522 1010.6015055 1011.7969310 1012.7254222 1014.4573149
1015.4716028 1018.2896082 1022.5415720 1023.7224118 1026.3265741
1027.6069002 1028.7659955 1033.1303699 1033.9321455 1035.9786615
1036.2583398 1039.3421733 1040.3752325 1041.4611788 1043.2820912
1045.6687525 1046.3228189 1047.9995550 1050.6817323 1053.5848857
1054.0000553 1055.0379188 1059.2372292 1060.6855788 1061.1022268
1062.8658324 1063.5258061 1066.4022450 1067.9909649 1069.4484736
1071.3514615 1073.4164264 1075.4768983 1078.8150368 1079.3132270
1082.0757833 1086.6189653 1086.7828072 1089.4124465 1090.0394978
1091.9198818 1093.6881853 1095.2372474 1098.7503588 1100.4013202
1102.5595971 1104.7074010 1108.9308067 1109.4759369 1112.5387205
1114.3299575 1118.2346340 1120.8117773 1122.2919418 1124.6891574
1126.2503077 1128.4755916 1131.1989345 1133.1981715 1134.8215123
1137.2804155 1139.4352114 1143.0460762 1144.5140267 1146.7588864
1147.8978864 1150.8843094 1151.1940821 1154.3146548 1155.5149543
1159.5704731 1161.9598666 1165.4505257 1168.0619167 1173.6580974
1174.6761844 1176.9165763 1179.7150743 1183.2823208 1186.7362597
1187.8782833 1189.9769490 1193.7115188 1198.8388454 1201.7437245
1205.8742964 1210.7181719 1215.2849546 1219.2482875 1223.5978022
1226.2389769 1232.4107392 1234.0906302 1239.9375433 1243.4994416
1248.6939614 1250.9214822 1255.3152836 1258.2432514 1265.1181908
1267.5324338 1274.3570287 1275.7104155 1282.9588763 1292.1812151
1299.7938055 1306.6708690 1307.7679264 1319.3735508 1329.9611931
1334.3808678 1342.5370342 1351.6805578 1379.0876857
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404111624423721609.eigenfacs
Openam> file on opening on unit 10:
2404111624423721609.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404111624423721609.atom
Openam> file on opening on unit 11:
2404111624423721609.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: 9.9442E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9621E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9913E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0030E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0059E-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: 5.232
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: 8.201
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.724
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: 8.977
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: 19.56
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= 0.597 for 183 C-alpha atoms.
Bfactors> = 1.781 +/- 2.92
Bfactors> = 27.004 +/- 13.92
Bfactors> Shiftng-fct= 25.223
Bfactors> Scaling-fct= 4.770
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404111624423721609 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=0
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=100
2404111624423721609.eigenfacs
2404111624423721609.atom
making animated gifs
11 models are in 2404111624423721609.7.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 2404111624423721609.7.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 2404111624423721609.7.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 2404111624423721609 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=0
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=100
2404111624423721609.eigenfacs
2404111624423721609.atom
making animated gifs
11 models are in 2404111624423721609.8.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 2404111624423721609.8.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 2404111624423721609.8.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 2404111624423721609 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=0
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=100
2404111624423721609.eigenfacs
2404111624423721609.atom
making animated gifs
11 models are in 2404111624423721609.9.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 2404111624423721609.9.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 2404111624423721609.9.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 2404111624423721609 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=0
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=100
2404111624423721609.eigenfacs
2404111624423721609.atom
making animated gifs
11 models are in 2404111624423721609.10.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 2404111624423721609.10.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 2404111624423721609.10.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 2404111624423721609 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=0
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=100
2404111624423721609.eigenfacs
2404111624423721609.atom
making animated gifs
11 models are in 2404111624423721609.11.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 2404111624423721609.11.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 2404111624423721609.11.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 2404111624423721609 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=0
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=100
2404111624423721609.eigenfacs
2404111624423721609.atom
making animated gifs
11 models are in 2404111624423721609.12.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 2404111624423721609.12.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 2404111624423721609.12.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 2404111624423721609 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=0
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=100
2404111624423721609.eigenfacs
2404111624423721609.atom
making animated gifs
11 models are in 2404111624423721609.13.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 2404111624423721609.13.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 2404111624423721609.13.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 2404111624423721609 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=0
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=100
2404111624423721609.eigenfacs
2404111624423721609.atom
making animated gifs
11 models are in 2404111624423721609.14.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 2404111624423721609.14.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 2404111624423721609.14.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 2404111624423721609 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=0
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=100
2404111624423721609.eigenfacs
2404111624423721609.atom
making animated gifs
11 models are in 2404111624423721609.15.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 2404111624423721609.15.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 2404111624423721609.15.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 2404111624423721609 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=-20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=0
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=20
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=40
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=60
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=80
2404111624423721609.eigenfacs
2404111624423721609.atom
calculating perturbed structure for DQ=100
2404111624423721609.eigenfacs
2404111624423721609.atom
making animated gifs
11 models are in 2404111624423721609.16.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 2404111624423721609.16.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 2404111624423721609.16.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
2404111624423721609.10.pdb
2404111624423721609.11.pdb
2404111624423721609.12.pdb
2404111624423721609.13.pdb
2404111624423721609.14.pdb
2404111624423721609.15.pdb
2404111624423721609.16.pdb
2404111624423721609.7.pdb
2404111624423721609.8.pdb
2404111624423721609.9.pdb
STDERR:
real 0m2.511s
user 0m2.503s
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: 2404111624423721609.Chkmod.res: No such file or directory
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
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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
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
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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
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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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