*** ***
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 = 2404250609362494427.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 2404250609362494427.atom to be opened.
Openam> File opened: 2404250609362494427.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 = 194
First residue number = 94
Last residue number = 288
Number of atoms found = 197
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.454878 +/- 10.400073 From: -21.607000 To: 20.709000
= 0.126437 +/- 9.168806 From: -20.850000 To: 18.951000
= 3.082853 +/- 8.136588 From: -13.571000 To: 18.687000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.5246 % Filled.
Pdbmat> 16662 non-zero elements.
Pdbmat> 1720 atom-atom interactions.
Pdbmat> Number per atom= 17.46 +/- 5.33
Maximum number = 30
Minimum number = 6
Pdbmat> Matrix trace = 34400.0
Pdbmat> Larger element = 120.246
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 197 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) = 591
Diagstd> Number of non-zero elements 16662
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 34400.0000006
%Diagstd-Wn: Nb on non-zero elements there: 591
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 591 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 34400.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.5114106 0.8288748 0.8545028 0.9340042
1.1860022 1.4339163 1.5283054 1.7373864 1.9004303
2.0459744 2.1789385 2.4710085 2.9419382 3.0840230
3.2251011 3.3410810 3.5011438 3.8597221 3.8770585
4.0691738 4.1261811 4.3257941 4.4016948 4.6552674
4.8070003 4.9822374 5.0480672 5.7854773 5.8082519
6.0020913 6.2970017 6.3770161 6.5647353 6.9371488
7.3691294 7.6232606 7.7746108 8.0696539 8.4299471
8.5239015 8.5364769 8.8564081 9.0706277 9.4188783
9.5793171 9.8631571 9.9945842 10.2404586 10.2743703
10.5293925 10.9845326 11.1655837 11.2496189 11.3090979
11.8065594 11.8541702 12.3395256 12.6193173 12.8489379
13.2274055 13.5873608 13.7715330 14.0074555 14.3601386
14.5073095 14.8276651 15.0272797 15.3408904 15.4094808
15.5569270 15.6375192 16.3729511 16.5625345 16.7694406
16.8819304 16.9878593 17.3405320 17.4844202 17.7443325
17.8292463 17.8918609 18.2560803 18.5971540 18.6641925
18.9576023 19.2396112 19.3134171 19.6438712 19.7755811
19.9359174 20.0611222 20.4631970 20.6068555 20.9542569
21.1255466 21.3733595 21.5983230 21.7456127 21.8589291
21.9819211 22.3663426 22.6933212 22.7721303 23.0115287
23.1378164 23.3888560 23.5235850 23.7826805 24.0577420
24.0914570 24.2894452 24.5516810 24.7751211 24.9550964
25.1706474 25.4998586 25.5430893 25.7088734 25.8119459
26.1897571 26.2883561 26.5512214 26.7497279 26.8290002
26.9191981 26.9928283 27.2639239 27.3952356 27.6485690
27.7996849 28.0005752 28.1088010 28.3181072 28.6053315
28.6797935 28.7959563 29.1264825 29.1841237 29.3930429
29.4603648 29.6419016 29.9458715 30.0645631 30.2475654
30.4364389 30.6335912 30.6974414 30.8093148 30.9221237
31.1204056 31.3654545 31.7097416 31.9435149 32.0527097
32.2118056 32.4832149 32.5632779 32.8047266 33.1007738
33.2508333 33.4049275 33.5142769 33.6274666 33.9184778
34.0766567 34.1378259 34.4091232 34.5711259 34.8284273
35.0314689 35.0628572 35.2462556 35.5336371 35.5747391
35.8499634 36.0808474 36.2938157 36.3896419 36.5174165
36.6141205 36.9024209 37.0167063 37.1176172 37.2985920
37.4578416 37.5432404 37.7075877 37.8364869 38.1004081
38.1850447 38.2623695 38.4332238 38.5654076 38.6386552
38.7211979 38.9906399 39.3047409 39.5212807 39.6215090
39.7619659 39.9168443 40.0975022 40.3766051 40.4319767
40.6174335 40.7039701 40.7500549 40.7877486 40.9733232
41.1710794 41.3596870 41.5133978 41.5764608 41.6601231
41.8745054 41.9696423 42.1297610 42.2691780 42.4094753
42.4732074 42.5753804 42.7533512 43.0006197 43.2504646
43.3080376 43.4501228 43.6156078 43.7674317 43.7790434
43.9390848 44.0414037 44.2220451 44.2908730 44.4513156
44.5890916 44.7097927 44.8068331 45.0737055 45.2134149
45.2437395 45.3963662 45.6167883 45.7317522 45.8970675
46.0614353 46.2630080 46.2721763 46.4463017 46.5215279
46.7946613 46.9003733 47.0454534 47.2150227 47.3628002
47.4931655 47.6616977 47.8175269 48.0386500 48.0513932
48.2480663 48.4077084 48.6418936 48.6627120 48.7423996
48.9438453 49.0419948 49.2859995 49.4064511 49.5723881
49.6681660 49.8337082 49.9065133 50.1749971 50.2424152
50.5205660 50.5498340 50.8653313 50.9908009 51.1548747
51.2738308 51.5484706 51.7570490 51.8057919 52.0817709
52.4430058 52.6212893 52.7116750 52.9370342 52.9731562
53.3219049 53.4111229 53.5181448 53.6058560 53.7594406
53.9893781 54.3130050 54.7615453 55.0143493 55.1473785
55.2762240 55.4991490 55.6929566 55.7421395 55.8773830
55.9481174 56.1242120 56.4364078 56.5289272 56.6312538
56.8110021 57.2339853 57.2761466 57.4109563 57.6895969
57.7753400 57.8842242 58.1973737 58.2764372 58.3503440
58.6360591 58.7991313 59.0915711 59.1921526 59.2344760
59.4167521 59.4921645 59.6880093 60.0047641 60.2118251
60.2997088 60.5129974 60.5487852 60.8597811 60.9933200
61.1726253 61.4422146 61.5374085 61.7292289 61.7736398
62.1997574 62.5233588 62.5371932 62.7072015 62.9927769
63.0767363 63.2981730 63.5155245 63.5325758 63.7320047
63.9308694 64.1274700 64.3360644 64.5746114 64.8525446
64.9449374 65.4791139 65.7337782 65.8525207 66.1960949
66.3236571 66.3747623 66.6842272 66.9533767 67.2514089
67.3060607 67.4158796 67.7928403 67.9307761 67.9408933
68.3719192 68.5200422 68.7531268 68.9350043 69.2270913
69.3674677 69.6233874 69.7129475 70.1281095 70.2504924
70.4681370 70.5636419 70.8043352 71.0460620 71.4459833
71.5332441 71.9060761 72.0882260 72.2906415 72.4655313
72.6847492 72.8498719 73.3739981 73.5614670 73.8506601
74.0821501 74.2827081 74.4477245 74.9210521 75.0089438
75.1218878 75.3909251 75.5203808 75.6559728 75.8285819
76.0003862 76.4660258 76.6677923 77.2007282 77.3857841
77.7130275 77.8878016 78.1901935 78.2630521 78.3525589
78.5349983 78.5878384 78.9228581 79.0012388 79.5767921
79.7399458 80.0156761 80.0438695 80.2199759 80.6685844
80.9394902 81.1364493 81.1775236 81.3684971 81.4427296
81.7686184 81.9639811 82.3408420 82.3928196 82.5564155
82.9046259 83.0502775 83.2829135 83.4340793 84.0529476
84.3103401 84.4840241 84.5729376 84.6300276 84.8669640
85.0682078 85.3344092 85.4027458 85.4844715 85.7961351
86.2009657 86.4939240 86.6043812 86.7916149 87.0908678
87.3560061 87.5838467 87.9160166 87.9885905 88.2482658
88.6065800 88.8643525 89.1808103 89.8129121 90.1041137
90.1798430 90.5719438 90.6708317 91.0669606 91.3089293
91.6223460 91.9479928 92.2120047 92.3937526 92.6094486
92.8304267 92.9217991 93.5366541 93.6499427 93.7982701
93.9843676 94.0698463 94.2728825 94.4357425 94.8400879
95.3321706 95.4711486 95.9333938 96.7145127 96.8798687
97.2340142 97.4511604 97.9600736 98.2492058 98.5658444
98.6747643 98.9792738 99.0916950 99.3188060 99.8365550
100.1173999 100.4975085 100.7258384 101.2923066 101.5535078
101.7207811 102.1466101 102.2577828 103.0477217 103.4810340
103.7925391 104.0381158 104.6318971 104.9772912 105.0321399
105.1810175 105.6042634 106.1882031 106.4682323 106.9007526
107.1531860 107.6454522 107.7840880 108.2046377 108.4347970
109.0281421 109.2690366 109.6213371 110.1367706 110.5880095
111.3236608 111.7219776 112.0768693 112.4272163 113.0345264
113.8708348 114.0767398 114.5373729 114.9041611 115.3964731
116.1188133 116.5706323 117.4953311 117.8097020 118.3730813
119.1903982 119.3489748 119.9538461 120.4117977 121.3558054
122.0681463 122.2285711 122.4380806 122.9164519 123.5023541
123.9810549 124.8754244 125.5648240 127.1272063 127.9997368
128.4857360 129.2963042 129.7326236 130.7196108 131.7537734
132.5259373 134.0866723 134.4613970 135.2866571 135.4423098
136.2032099 138.0825750 139.1800339 139.7669931 140.4220560
141.4386037 143.0134492 144.7098896 146.3456598 147.1688201
151.9157073 154.8739072 155.3981301 156.6720635 158.5863364
166.1201059
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034264 0.0034342 0.0034415 0.0034418 0.0034496
0.0034579 77.6569189 98.8643581 100.3811182 104.9469172
118.2600418 130.0340788 134.2456893 143.1342247 149.6998107
155.3264377 160.2941840 170.6995589 186.2567623 190.7014884
195.0145205 198.4900691 203.1890293 213.3404948 213.8190791
219.0525930 220.5816721 225.8542156 227.8270272 234.2974682
238.0851766 242.3859768 243.9820330 261.1950109 261.7086054
266.0397800 272.4972877 274.2231012 278.2299579 286.0130069
294.7836370 299.8234952 302.7851765 308.4769611 315.2881907
317.0403149 317.2740960 323.1648304 327.0498475 333.2689648
336.0953897 341.0383788 343.3030378 347.5001392 348.0750438
352.3683873 359.9035010 362.8574096 364.2203323 365.1819156
373.1272425 373.8788170 381.4560538 385.7564621 389.2502458
394.9413564 400.2790261 402.9827200 406.4198448 411.5045068
413.6077984 418.1495791 420.9547990 425.3246609 426.2744307
428.3089870 429.4169756 439.3986944 441.9352859 444.6871374
446.1761312 447.5737506 452.1957625 454.0680019 457.4304951
458.5236828 459.3281231 463.9797736 468.2939251 469.1372125
472.8103610 476.3140875 477.2268174 481.2921952 482.9030047
484.8566908 486.3768453 491.2267659 492.9480387 497.0858636
499.1134315 502.0323184 504.6674523 506.3853168 507.7029897
509.1293133 513.5618642 517.3021820 518.1996445 520.9163824
522.3438263 525.1698321 526.6802524 529.5728125 532.6264288
532.9995146 535.1851793 538.0664292 540.5093030 542.4689766
544.8067420 548.3579779 548.8226053 550.6007551 551.7033906
555.7263836 556.7714977 559.5482375 561.6360346 562.4676177
563.4123205 564.1823252 567.0083580 568.3721639 570.9940854
572.5523701 574.6173785 575.7267924 577.8663308 580.7895222
581.5449519 582.7214882 586.0562476 586.6358630 588.7318812
589.4057119 591.2189027 594.2425678 595.4190548 597.2284563
599.0901777 601.0273517 601.6533921 602.7487249 603.8512040
605.7841478 608.1645095 611.4931997 613.7431121 614.7912185
616.3151099 618.9061285 619.6683835 621.9614851 624.7616365
626.1761861 627.6254522 628.6518633 629.7125594 632.4314476
633.9044055 634.4730941 636.9892206 638.4869752 640.8585933
642.7239069 643.0117838 644.6912468 647.3141661 647.6884345
650.1890310 652.2793728 654.2015900 655.0646609 656.2137150
657.0820203 659.6638870 660.6845736 661.5845041 663.1953905
664.6096680 665.3668466 666.8215933 667.9603488 670.2859156
671.0299928 671.7090673 673.2071000 674.3637906 675.0038991
675.7245103 678.0714538 680.7971820 682.6699482 683.5350458
684.7455282 686.0778216 687.6286131 690.0176194 690.4905951
692.0723834 692.8092308 693.2013172 693.5218481 695.0977380
696.7731503 698.3673095 699.6638259 700.1950543 700.8991844
702.7002784 703.4980763 704.8387591 706.0040318 707.1747244
707.7058892 708.5566018 710.0359881 712.0863113 714.1520194
714.6271850 715.7985008 717.1603076 718.4074236 718.5027161
719.8148192 720.6524322 722.1288432 722.6905913 723.9983726
725.1195135 726.1002872 726.8878426 729.0493239 730.1783219
730.4231458 731.6541256 733.4282479 734.3518630 735.6779670
736.9941041 738.6049500 738.6781341 740.0666769 740.6657547
742.8368405 743.6754248 744.8247668 746.1658721 747.3326664
748.3604691 749.6870938 750.9116384 752.6458604 752.7456812
754.2845918 755.5314413 757.3567789 757.5188335 758.1388172
759.7038437 760.4651976 762.3546692 763.2856715 764.5663871
765.3046323 766.5789382 767.1387045 769.1994379 769.7160357
771.8437361 772.0672789 774.4728880 775.4274968 776.6740467
777.5765653 779.6562645 781.2320170 781.5997981 783.6788960
786.3919658 787.7275283 788.4037636 790.0873048 790.3568197
792.9542079 793.6173151 794.4120177 795.0627346 796.2008753
797.9017960 800.2896424 803.5874168 805.4401419 806.4133644
807.3548610 808.9812244 810.3925079 810.7502611 811.7332001
812.2468184 813.5240724 815.7835839 816.4519904 817.1906121
818.4864711 821.5278183 821.8303516 822.7969456 824.7912265
825.4039356 826.1813534 828.4131299 828.9756552 829.5011464
831.5295118 832.6849879 834.7531159 835.4632424 835.7618742
837.0467884 837.5778147 838.9553111 841.1784667 842.6285618
843.2432774 844.7332966 844.9830502 847.1503083 848.0792105
849.3248669 851.1943076 851.8534405 853.1800784 853.4869325
856.4255704 858.6505069 858.7454972 859.9119613 861.8678030
862.4419786 863.9544937 865.4365339 865.5526932 866.9101144
868.2615826 869.5955993 871.0087653 872.6220461 874.4979400
875.1206491 878.7122424 880.4193477 881.2141903 883.5099915
884.3608592 884.7015124 886.7615250 888.5492871 890.5247083
890.8864767 891.6129812 894.1022652 895.0114031 895.0780492
897.9128062 898.8849126 900.4124833 901.6026587 903.5107461
904.4263369 906.0931662 906.6757560 909.3715141 910.1646557
911.5734659 912.1909811 913.7454028 915.3038426 917.8763695
918.4367244 920.8270644 921.9926297 923.2861472 924.4023072
925.7994714 926.8504745 930.1786612 931.3661956 933.1951455
934.6565836 935.9208976 936.9598785 939.9336848 940.4848529
941.1926495 942.8765103 943.6856823 944.5324656 945.6093273
946.6799516 949.5755852 950.8275548 954.1265449 955.2694168
957.2870733 958.3629224 960.2214965 960.6687655 961.2179503
962.3363702 962.6600564 964.7097825 965.1887049 968.6982031
969.6907398 971.3658250 971.5369393 972.6051031 975.3208270
976.9571429 978.1450902 978.3926459 979.5428244 979.9895408
981.9482718 983.1206143 985.3781594 985.6891199 986.6672073
988.7458240 989.6139856 990.9990432 991.8980104 995.5698920
997.0930769 998.1195823 998.6446692 998.9816743 1000.3791080
1001.5644980 1003.1303572 1003.5319346 1004.0119821 1005.8405555
1008.2108016 1009.9225754 1010.5672316 1011.6590360 1013.4016085
1014.9430295 1016.2657469 1018.1910644 1018.6112320 1020.1132066
1022.1820903 1023.6678664 1025.4889552 1029.1168033 1030.7838130
1031.2168905 1033.4563175 1034.0203359 1036.2766235 1037.6524249
1039.4317638 1041.2773143 1042.7711618 1043.7982958 1045.0159749
1046.2620038 1046.7767915 1050.2342946 1050.8701070 1051.7019875
1052.7447687 1053.2233949 1054.3593980 1055.2697279 1057.5264883
1060.2664545 1061.0390162 1063.6045453 1067.9258628 1068.8384066
1070.7902003 1071.9851957 1074.7806318 1076.3655873 1078.0986534
1078.6941640 1080.3573026 1080.9706665 1082.2087103 1085.0258214
1086.5508636 1088.6115247 1089.8474836 1092.9077626 1094.3159893
1095.2168667 1097.5069006 1098.1039817 1102.3372351 1104.6524501
1106.3138477 1107.6218626 1110.7781547 1112.6100061 1112.9006273
1113.6890873 1115.9275670 1119.0085790 1120.4830781 1122.7567164
1124.0815628 1126.6606427 1127.3859182 1129.5831828 1130.7838978
1133.8734496 1135.1253886 1136.9538268 1139.6236394 1141.9558164
1145.7477679 1147.7956845 1149.6172607 1151.4126833 1154.5183495
1158.7814452 1159.8286453 1162.1679359 1164.0272801 1166.5182780
1170.1635736 1172.4379201 1177.0789280 1178.6525741 1181.4674376
1185.5391920 1186.3275790 1189.3299867 1191.5980954 1196.2599381
1199.7657364 1200.5538578 1201.5823396 1203.9273708 1206.7933216
1209.1298532 1213.4832019 1216.8282292 1224.3752213 1228.5697521
1230.8999061 1234.7764442 1236.8581093 1241.5541140 1246.4555949
1250.1027845 1257.4423606 1259.1981871 1263.0564560 1263.7828458
1267.3277708 1276.0412648 1281.1021182 1283.8006503 1286.8056052
1291.4549478 1298.6248851 1306.3043899 1313.6667381 1317.3560924
1338.4329517 1351.4015347 1353.6867392 1359.2240866 1367.5026087
1399.6078832
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404250609362494427.eigenfacs
Openam> file on opening on unit 10:
2404250609362494427.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404250609362494427.atom
Openam> file on opening on unit 11:
2404250609362494427.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 = 194
First residue number = 94
Last residue number = 288
Number of atoms found = 197
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: 9.9562E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0044E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0046E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0091E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0140E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5114
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8289
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8545
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9340
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.186
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.434
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.528
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.737
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.900
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.046
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.179
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.942
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.084
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.225
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.501
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.860
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.877
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.069
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.326
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.402
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.655
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.807
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.982
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.808
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.002
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.297
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.377
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.565
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.937
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.369
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.430
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.524
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.536
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.856
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.071
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.579
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.98
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 591 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 : 0.511400
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= 0.266 for 197 C-alpha atoms.
Bfactors> = 1.571 +/- 2.48
Bfactors> = 12.766 +/- 8.36
Bfactors> Shiftng-fct= 11.195
Bfactors> Scaling-fct= 3.374
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404250609362494427 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=0
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=100
2404250609362494427.eigenfacs
2404250609362494427.atom
making animated gifs
11 models are in 2404250609362494427.7.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 2404250609362494427.7.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 2404250609362494427.7.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 2404250609362494427 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=0
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=100
2404250609362494427.eigenfacs
2404250609362494427.atom
making animated gifs
11 models are in 2404250609362494427.8.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 2404250609362494427.8.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 2404250609362494427.8.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 2404250609362494427 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=0
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=100
2404250609362494427.eigenfacs
2404250609362494427.atom
making animated gifs
11 models are in 2404250609362494427.9.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 2404250609362494427.9.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 2404250609362494427.9.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 2404250609362494427 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=0
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=100
2404250609362494427.eigenfacs
2404250609362494427.atom
making animated gifs
11 models are in 2404250609362494427.10.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 2404250609362494427.10.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 2404250609362494427.10.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 2404250609362494427 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=0
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=100
2404250609362494427.eigenfacs
2404250609362494427.atom
making animated gifs
11 models are in 2404250609362494427.11.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 2404250609362494427.11.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 2404250609362494427.11.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 2404250609362494427 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=0
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=100
2404250609362494427.eigenfacs
2404250609362494427.atom
making animated gifs
11 models are in 2404250609362494427.12.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 2404250609362494427.12.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 2404250609362494427.12.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 2404250609362494427 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=0
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=100
2404250609362494427.eigenfacs
2404250609362494427.atom
making animated gifs
11 models are in 2404250609362494427.13.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 2404250609362494427.13.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 2404250609362494427.13.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 2404250609362494427 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=0
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=100
2404250609362494427.eigenfacs
2404250609362494427.atom
making animated gifs
11 models are in 2404250609362494427.14.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 2404250609362494427.14.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 2404250609362494427.14.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 2404250609362494427 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=0
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=100
2404250609362494427.eigenfacs
2404250609362494427.atom
making animated gifs
11 models are in 2404250609362494427.15.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 2404250609362494427.15.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 2404250609362494427.15.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 2404250609362494427 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=-20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=0
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=20
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=40
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=60
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=80
2404250609362494427.eigenfacs
2404250609362494427.atom
calculating perturbed structure for DQ=100
2404250609362494427.eigenfacs
2404250609362494427.atom
making animated gifs
11 models are in 2404250609362494427.16.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 2404250609362494427.16.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 2404250609362494427.16.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
2404250609362494427.10.pdb
2404250609362494427.11.pdb
2404250609362494427.12.pdb
2404250609362494427.13.pdb
2404250609362494427.14.pdb
2404250609362494427.15.pdb
2404250609362494427.16.pdb
2404250609362494427.7.pdb
2404250609362494427.8.pdb
2404250609362494427.9.pdb
STDERR:
real 0m2.969s
user 0m2.953s
sys 0m0.016s
../../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: 2404250609362494427.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
|
