*** ***
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 = 2402161635593078250.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 2402161635593078250.atom to be opened.
Openam> File opened: 2402161635593078250.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 179
First residue number = 97
Last residue number = 288
Number of atoms found = 201
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 3.374716 +/- 7.110826 From: -12.383000 To: 20.296000
= 15.443682 +/- 10.184396 From: -5.060000 To: 37.108000
= -12.123896 +/- 9.280263 From: -32.704000 To: 7.847000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 10.4450 % Filled.
Pdbmat> 19021 non-zero elements.
Pdbmat> 1982 atom-atom interactions.
Pdbmat> Number per atom= 19.72 +/- 6.51
Maximum number = 36
Minimum number = 6
Pdbmat> Matrix trace = 39640.0
Pdbmat> Larger element = 133.531
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 201 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 603
Diagstd> Number of non-zero elements 19021
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 39640.0000006
%Diagstd-Wn: Nb on non-zero elements there: 603
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 603 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 39640.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.6003433 0.7908503 0.8830561 0.9995840
1.1212093 1.4563358 1.6575594 2.0720056 2.2008618
2.2736131 2.4190480 2.9614935 3.2568609 3.4865270
3.5761206 3.8810352 4.1773595 4.3756790 4.4394344
4.8200511 4.9567564 5.1816959 5.3451954 5.5414370
5.7849532 6.1533408 6.1893835 6.7556656 6.8709358
7.0796010 7.2649861 7.4325703 7.7565702 7.9734430
8.3510684 8.6196556 8.7881153 9.0254626 9.2186094
9.5098791 9.8255351 10.0004136 10.3721767 10.7212893
10.9292022 10.9758979 11.2020167 11.3846706 11.4497829
11.7996710 12.0485760 12.1692695 12.2718627 12.7015334
13.0065311 13.0874183 13.1754015 13.6807285 13.9268827
14.2121792 14.5145940 14.5383880 15.1928042 15.2320051
15.3709251 15.6140253 15.7173016 15.7507975 15.9669282
16.3606464 16.5270433 16.9109632 17.0669240 17.1835495
17.6359081 17.8662754 18.0851991 18.4381155 18.9127142
19.1297856 19.1686688 19.2682556 19.7328482 20.2021963
20.3841566 20.4561004 20.6797679 21.0629154 21.3754051
21.3889790 21.4776348 21.8367717 21.9397039 21.9963389
22.1902913 22.2258181 22.7162256 22.9055538 23.2804173
23.6378326 24.1070132 24.3561281 24.6676831 24.8460011
24.9670813 25.2065229 25.3309260 25.5038153 25.7514587
25.9953494 26.3826917 26.7580408 26.7688988 26.9092452
27.0455755 27.2102422 27.6713662 27.7644671 28.0494719
28.2218681 28.3065975 28.4043676 28.6763356 28.7869530
29.0506248 29.2575987 29.3766930 29.5056023 29.7759961
30.0229259 30.2719843 30.3716180 30.5483790 30.7023769
31.0030660 31.1964180 31.6798052 31.7863169 31.8214381
32.1147525 32.2286502 32.3547737 32.5744632 32.9246259
33.2451443 33.2939258 33.3135851 33.5764867 33.8637753
34.2105409 34.2983529 34.4237570 34.4969048 34.8923792
35.1562632 35.4315993 35.6190342 35.7730651 35.9134733
36.0408584 36.1284622 36.5697509 36.8450197 36.9398317
36.9924020 37.0088865 37.0983560 37.5016146 37.6328960
37.7979832 37.8251747 37.8834213 37.9750492 38.3554426
38.4767054 38.7889697 39.0262174 39.0690178 39.2294228
39.4687273 39.5050818 39.6183689 39.8267887 39.9583795
40.2751271 40.3055497 40.7365022 40.9708742 41.0137516
41.0311025 41.3785189 41.4255286 41.4535128 41.5849893
41.7719951 41.9631813 42.2387699 42.3349049 42.5641655
42.9126936 43.1760888 43.4209992 43.5702756 43.6502107
43.7961334 44.0574248 44.1463483 44.2902564 44.5376670
44.6485214 44.6583763 44.9420750 45.0702018 45.1131695
45.4677444 45.4933448 45.5785128 45.6157577 45.9827167
46.2228799 46.2812251 46.5209542 46.7798228 46.8148978
47.0559351 47.1092511 47.3803039 47.6083423 47.7325925
48.0165349 48.2010818 48.5095870 48.6403568 48.6706633
48.7331325 48.9866122 49.1617124 49.3839702 49.5812338
49.6783028 49.9251354 50.0181316 50.1426463 50.2939641
50.5382319 50.5682880 50.9718340 51.2322425 51.4988363
51.8537247 52.1076733 52.2489418 52.4100255 52.6630065
52.8663483 52.9227639 53.1569073 53.2399926 53.3505043
53.4376645 53.5227598 53.5595478 53.8298498 53.9149543
53.9657425 54.1899228 54.2630331 54.4670836 54.6174598
54.7530313 54.9253511 55.1030892 55.3411052 55.6948082
56.1542098 56.2257135 56.4316856 56.6157488 56.6629912
56.9704916 57.0891412 57.1690320 57.5077292 57.5389310
57.6404561 57.8152975 58.0589679 58.2772715 58.3791386
58.4829531 58.7328263 59.0604186 59.1276969 59.1884178
59.2534194 59.4571437 59.6269154 59.9598390 60.0534599
60.2759712 60.3928075 60.6438727 61.1413336 61.2368938
61.6359521 61.8695776 62.2215149 62.7582247 62.8076611
63.0019983 63.2760096 63.5547843 63.6533471 63.8400108
63.9157802 64.1502358 64.5032880 64.6325592 64.8603314
65.0488606 65.4222293 65.5763573 65.8150451 66.0985428
66.3904415 66.6389519 66.9364455 67.0355539 67.3356385
67.4838943 67.5558123 67.7937021 67.8803517 68.1844534
68.3271116 68.6462582 68.9210892 69.1439605 69.3364278
69.4185694 69.6043001 69.9320047 70.1089495 70.4699016
70.5272154 70.9403886 70.9960727 71.1677559 71.3263616
71.4939775 71.7719827 72.2513281 72.5434086 72.5711182
72.8567908 73.1132050 73.2736181 73.3960217 73.5433832
73.9291034 74.2330531 74.3475691 74.4515784 74.7389080
74.9084392 74.9180831 75.1624058 75.4148639 75.6816503
75.9424356 76.1256422 76.5172581 76.8045204 77.3721241
77.6612390 77.7781052 77.8036380 77.9236061 78.4549201
78.6315206 78.6633132 79.0462629 79.4123088 79.5265031
79.8357681 80.1807510 80.2117514 80.4581290 80.5966881
80.6391383 80.8913315 81.0584444 81.5834650 81.6654997
81.6923206 81.9300321 82.1693388 82.2414069 82.4203516
82.7285694 82.9666108 83.1498701 83.4780750 83.6644856
83.8856508 84.2495187 84.3447293 84.3558035 84.7573041
84.9595135 85.1164096 85.4420831 85.5858884 85.8028290
86.1489630 86.2250923 86.7942643 87.2405437 87.4581837
87.6344875 87.7938404 88.0452775 88.2135993 88.4169784
88.5079692 88.8243613 89.0656500 89.5359157 89.8061501
89.9410224 89.9894533 90.3492485 90.5724239 90.6396724
91.0119744 91.3510875 91.8521700 92.0718597 92.2648384
92.2981871 92.6016876 92.8283072 93.1918721 93.5249617
93.8872125 93.9929552 94.2070036 94.6644683 94.9380787
95.0664538 95.4082536 95.8992406 96.1972408 96.3915111
96.9201867 96.9406328 97.3399350 97.4204262 97.5937212
98.2153397 98.3076961 98.6124551 98.7458146 98.9355348
99.6298135 100.1300070 100.2184860 100.4898398 100.6108365
100.7459514 100.8391607 100.9516121 101.1816466 101.8122448
102.0584771 102.1765959 102.4140889 102.6444569 103.5520211
103.7198752 104.0984675 104.4692115 104.6248460 104.7205858
105.0992893 105.6724952 105.8932890 106.0568327 106.6588723
107.1584728 107.7492840 108.0675832 108.5007482 108.6383210
108.7677031 109.5448578 109.6869725 110.0549595 110.2648656
110.6601012 110.9756268 111.5694808 111.6768302 112.2831355
113.0401174 113.3247923 113.3624009 114.3439582 114.4148617
114.6507273 114.7419784 115.0310091 115.6347094 116.2444887
116.3760398 116.5140020 116.7013130 117.0947562 117.3754086
117.4481491 117.5544776 118.1714739 118.3177165 119.0486789
119.5036174 119.7762690 119.9577010 121.0561637 121.0892629
121.3656061 121.7867681 122.4064823 122.7994091 123.0970093
123.4229475 124.2456560 124.5827764 124.7165228 124.9340448
125.8762307 126.0773089 126.7276439 127.1084425 127.4813157
127.9126489 128.6627195 128.9265867 129.3298097 130.7638602
131.2361849 132.0836371 132.4713634 133.1992222 133.5549969
134.5055574 134.7856090 135.1074914 135.6924707 136.1665678
136.7248004 137.1371711 138.3099608 138.5180193 138.9319047
139.6828780 140.6799801 141.6567950 142.7367662 143.4480659
143.9803855 144.5866935 145.1072148 145.5827455 146.3684396
147.2342939 148.6133852 149.6675897 150.1140275 151.6315699
153.3480809 153.5999079 154.4019868 157.0466805 158.4915884
158.6700830 160.4114736 162.6134666 164.9322348 168.8203927
170.2226984 174.5579857 176.5020108 179.2659543 180.3198152
184.0612867 189.6993901 195.0303514
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034128 0.0034303 0.0034319 0.0034411 0.0034497
0.0034564 84.1385651 96.5700446 102.0444594 108.5687715
114.9843234 131.0466868 139.8072934 156.3114339 161.0985636
163.7395390 168.8952847 186.8747711 195.9723888 202.7644424
205.3531458 213.9287090 221.9454294 227.1527541 228.8016234
238.4081512 241.7653559 247.1901965 251.0597400 255.6268573
261.1831801 269.3709534 270.1587124 282.2470108 284.6447814
288.9346790 292.6932280 296.0498143 302.4336726 306.6325306
313.8096551 318.8160943 321.9164377 326.2345971 329.7068627
334.8750389 340.3873293 343.4031403 349.7278627 355.5648228
358.9959183 359.7620165 363.4489252 366.4000419 367.4463228
373.0183784 376.9321141 378.8153202 380.4087735 387.0110433
391.6300633 392.8459419 394.1642295 401.6519621 405.2492680
409.3790540 413.7116274 414.0505893 423.2668447 423.8125555
425.7408107 429.0942747 430.5110204 430.9695179 433.9163013
439.2335541 441.4615285 446.5596231 448.6140882 450.1442626
456.0308189 458.9995849 461.8031886 466.2872564 472.2502643
474.9526675 475.4351171 476.6685290 482.3809710 488.0840031
490.2771509 491.1415802 493.8193574 498.3730183 502.0563420
502.2157249 503.2554734 507.4456066 508.6401765 509.2962536
511.5366813 511.9460044 517.5631729 519.7155109 523.9509846
527.9576735 533.1715692 535.9193090 539.3360626 541.2819320
542.5992232 545.1948574 546.5385662 548.4005191 551.0565861
553.6599507 557.7695888 561.7232967 561.8372549 563.3081548
564.7332957 566.4498735 571.2294389 572.1895883 575.1188794
576.8835553 577.7488838 578.7457872 581.5098930 582.6303844
585.2925806 587.3738665 588.5681175 589.8580656 592.5546765
595.0066057 597.4694793 598.4518924 600.1908428 601.7017570
604.6410139 606.5235184 611.2044834 612.2310965 612.5692357
615.3859403 616.4762336 617.6813145 619.7748007 623.0970641
626.1226165 626.5818117 626.7667754 629.2350498 631.9212601
635.1484620 635.9630922 637.1246587 637.8012194 641.4466952
643.8676924 646.3840900 648.0915369 649.4913278 650.7646967
651.9178065 652.7096275 656.6837680 659.1506380 659.9981776
660.4676433 660.6147858 661.4128260 664.9978845 666.1608418
667.6203932 667.8604897 668.3745072 669.1823121 672.5255367
673.5878103 676.3155961 678.3807411 678.7526324 680.1445763
682.2159066 682.5300284 683.5079586 685.3034610 686.4346758
689.1499672 689.4101999 693.0860347 695.0769640 695.4405794
695.5876679 698.5262817 698.9229631 699.1589955 700.2668654
701.8396330 703.4439247 705.7500393 706.5527233 708.4632738
711.3579149 713.5377089 715.5585692 716.7875173 717.4447347
718.6429433 720.7834971 721.5105290 722.6855605 724.7012531
725.6025840 725.6826583 727.9840101 729.0209878 729.3684119
732.2291012 732.4352111 733.1204862 733.4199633 736.3640764
738.2845509 738.7503566 740.6611881 742.7190557 742.9974445
744.9077360 745.3296197 747.4707476 749.2673532 750.2444502
752.4725962 753.9172372 756.3260670 757.3448144 757.5807186
758.0667435 760.0356843 761.3928269 763.1119969 764.6345986
765.3827243 767.2818162 767.9960964 768.9514240 770.1107998
771.9786728 772.2081939 775.2832660 777.2611546 779.2808216
781.9612985 783.8737495 784.9356059 786.1446548 788.0397143
789.5596331 789.9808049 791.7264116 792.3449122 793.1668314
793.8144768 794.4462692 794.7192467 796.7221003 797.3516567
797.7271236 799.3823344 799.9213954 801.4239946 802.5295437
803.5249461 804.7883877 806.0894811 807.8285438 810.4059793
813.7414535 814.2593760 815.7494540 817.0787356 817.4195657
819.6345627 820.4876250 821.0615216 823.4901141 823.7134826
824.4398671 825.6893114 827.4274712 828.9815892 829.7057917
830.4431886 832.2153658 834.5330500 835.0082413 835.4368846
835.8955039 837.3312526 838.5258426 840.8635161 841.5197192
843.0772859 843.8939820 845.6462828 849.1076112 849.7709044
852.5352301 854.1494305 856.5753467 860.2617338 860.6004933
861.9308846 863.8032265 865.7039612 866.3749819 867.6443765
868.1591115 869.7499429 872.1400024 873.0134940 874.5504383
875.8205419 878.3304716 879.3644905 880.9634125 882.8587445
884.8059995 886.4604399 888.4369318 889.0944136 891.0822063
892.0626345 892.5378458 894.1079485 894.6791617 896.6809883
897.6185342 899.7124185 901.5116562 902.9680963 904.2239621
904.7594123 905.9689543 908.0991504 909.2472789 911.5848794
911.9555038 914.6228809 914.9817734 916.0874132 917.1076495
918.1846115 919.9680657 923.0350603 924.8988924 925.0755181
926.8944869 928.5241235 929.5421733 930.3182500 931.2517085
933.6906288 935.6080326 936.3294145 936.9841296 938.7904316
939.8545633 939.9150610 941.4464377 943.0261941 944.6927382
946.3189588 947.4597406 949.8936400 951.6750228 955.1851017
956.9680487 957.6878105 957.8449910 958.5831740 961.8456219
962.9275611 963.1222086 965.4637041 967.6965475 968.3920676
970.2731966 972.3672884 972.5552439 974.0477437 974.8861003
975.1428021 976.6664568 977.6747810 980.8359010 981.3289071
981.4900400 982.9169918 984.3514296 984.7830068 985.8537931
987.6954145 989.1153803 990.2071723 992.1594954 993.2666481
994.5786202 996.7333611 997.2964078 997.3618765 999.7325849
1000.9244285 1001.8482136 1003.7630261 1004.6073745 1005.8797931
1007.9066421 1008.3518842 1011.6744768 1014.2720597 1015.5364296
1016.5595061 1017.4833323 1018.9393009 1019.9128220 1021.0878646
1021.6131357 1023.4375022 1024.8266280 1027.5286028 1029.0780617
1029.8505148 1030.1277509 1032.1850214 1033.4590566 1033.8426486
1035.9637244 1037.8919442 1040.7345940 1041.9784523 1043.0698519
1043.2583411 1044.9721861 1046.2500596 1048.2968925 1050.1686507
1052.2004974 1052.7928637 1053.9909346 1056.5469004 1058.0726766
1058.7877973 1060.6894601 1063.4152014 1065.0661646 1066.1410727
1069.0607901 1069.1735479 1071.3732687 1071.8161407 1072.7690101
1076.1800619 1076.6859339 1078.3535338 1079.0824484 1080.1185709
1083.9018039 1086.6192725 1087.0992574 1088.5699896 1089.2251491
1089.9562890 1090.4603812 1091.0682287 1092.3106089 1095.7091463
1097.0333290 1097.6679787 1098.9429145 1100.1781892 1105.0312762
1105.9265211 1107.9430773 1109.9142790 1110.7407266 1111.2488173
1113.2563216 1116.2880135 1117.4536002 1118.3161757 1121.4857870
1124.1092927 1127.2038843 1128.8675776 1131.1277234 1131.8445991
1132.5183796 1136.5571495 1137.2941496 1139.2002968 1140.2861686
1142.3279728 1143.9553762 1147.0120655 1147.5637464 1150.6746518
1154.5469018 1155.9997662 1156.1915683 1161.1862678 1161.5462318
1162.7428762 1163.2055004 1164.6696143 1167.7217971 1170.7966364
1171.4589301 1172.1530987 1173.0949128 1175.0707170 1176.4780773
1176.8425672 1177.3751583 1180.4608992 1181.1911107 1184.8341695
1187.0959029 1188.4493313 1189.3490971 1194.7821720 1194.9454998
1196.3082422 1198.3821543 1201.4272801 1203.3540356 1204.8112971
1206.4053016 1210.4194316 1212.0604571 1212.7108892 1213.7679918
1218.3361908 1219.3089045 1222.4495936 1224.2848599 1226.0792676
1228.1517366 1231.7473699 1233.0097840 1234.9364223 1241.7642332
1244.0048646 1248.0149559 1249.8453633 1253.2742732 1254.9469026
1259.4049460 1260.7153563 1262.2198203 1264.9494059 1267.1572879
1269.7520693 1271.6654543 1277.0914852 1278.0516835 1279.9596389
1283.4142811 1287.9868510 1292.4506998 1297.3680754 1300.5966433
1303.0075923 1305.7482223 1308.0964992 1310.2381271 1313.7689753
1317.6490984 1323.8056908 1328.4926701 1330.4725501 1337.1806889
1344.7280155 1345.8317136 1349.3410181 1360.8481300 1367.0940378
1367.8636376 1375.3492487 1384.7568890 1394.5948339 1410.9373604
1416.7852135 1434.7133559 1442.6803251 1453.9323141 1458.1997086
1473.2501947 1495.6440500 1516.5138533
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402161635593078250.eigenfacs
Openam> file on opening on unit 10:
2402161635593078250.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402161635593078250.atom
Openam> file on opening on unit 11:
2402161635593078250.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 179
First residue number = 97
Last residue number = 288
Number of atoms found = 201
Mean number per residue = 1.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8774E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9789E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9883E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0042E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0092E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0131E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6003
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7909
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8831
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9996
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.121
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.658
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.072
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.201
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.274
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.961
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 3.257
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.487
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.576
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.881
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 4.177
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 4.376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.439
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.820
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 5.182
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 5.345
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.541
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 6.153
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 6.189
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.756
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 7.080
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 7.265
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.433
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.757
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.973
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 8.351
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 8.620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.788
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 9.025
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 9.219
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 9.510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 9.826
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 10.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 10.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 10.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 10.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 11.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 11.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 11.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 11.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 12.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 12.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 12.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 12.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 13.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 13.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 13.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 13.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 14.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 14.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 14.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 15.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 15.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 15.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 15.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 16.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 16.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 17.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 17.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 17.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 17.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 18.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 18.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 18.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 19.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 19.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 19.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 19.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 20.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 20.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 20.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 20.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 21.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 21.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 21.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 21.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 21.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 21.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 22.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 22.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 22.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 22.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 22.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 23.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 23.64
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 603 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.600300
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.550 for 201 C-alpha atoms.
Bfactors> = 1.402 +/- 2.38
Bfactors> = 17.669 +/- 5.00
Bfactors> Shiftng-fct= 16.267
Bfactors> Scaling-fct= 2.100
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402161635593078250 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=0
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=100
2402161635593078250.eigenfacs
2402161635593078250.atom
making animated gifs
11 models are in 2402161635593078250.7.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 2402161635593078250.7.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 2402161635593078250.7.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 2402161635593078250 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=0
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=100
2402161635593078250.eigenfacs
2402161635593078250.atom
making animated gifs
11 models are in 2402161635593078250.8.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 2402161635593078250.8.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 2402161635593078250.8.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 2402161635593078250 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=0
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=100
2402161635593078250.eigenfacs
2402161635593078250.atom
making animated gifs
11 models are in 2402161635593078250.9.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 2402161635593078250.9.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 2402161635593078250.9.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 2402161635593078250 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=0
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=100
2402161635593078250.eigenfacs
2402161635593078250.atom
making animated gifs
11 models are in 2402161635593078250.10.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 2402161635593078250.10.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 2402161635593078250.10.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 2402161635593078250 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=0
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=100
2402161635593078250.eigenfacs
2402161635593078250.atom
making animated gifs
11 models are in 2402161635593078250.11.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 2402161635593078250.11.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 2402161635593078250.11.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 2402161635593078250 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=0
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=100
2402161635593078250.eigenfacs
2402161635593078250.atom
making animated gifs
11 models are in 2402161635593078250.12.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 2402161635593078250.12.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 2402161635593078250.12.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 2402161635593078250 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=0
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=100
2402161635593078250.eigenfacs
2402161635593078250.atom
making animated gifs
11 models are in 2402161635593078250.13.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 2402161635593078250.13.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 2402161635593078250.13.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 2402161635593078250 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=0
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=100
2402161635593078250.eigenfacs
2402161635593078250.atom
making animated gifs
11 models are in 2402161635593078250.14.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 2402161635593078250.14.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 2402161635593078250.14.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 2402161635593078250 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=0
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=100
2402161635593078250.eigenfacs
2402161635593078250.atom
making animated gifs
11 models are in 2402161635593078250.15.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 2402161635593078250.15.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 2402161635593078250.15.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 2402161635593078250 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=-20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=0
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=20
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=40
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=60
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=80
2402161635593078250.eigenfacs
2402161635593078250.atom
calculating perturbed structure for DQ=100
2402161635593078250.eigenfacs
2402161635593078250.atom
making animated gifs
11 models are in 2402161635593078250.16.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 2402161635593078250.16.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 2402161635593078250.16.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
2402161635593078250.10.pdb
2402161635593078250.11.pdb
2402161635593078250.12.pdb
2402161635593078250.13.pdb
2402161635593078250.14.pdb
2402161635593078250.15.pdb
2402161635593078250.16.pdb
2402161635593078250.7.pdb
2402161635593078250.8.pdb
2402161635593078250.9.pdb
STDERR:
real 0m3.273s
user 0m3.245s
sys 0m0.012s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2402161635593078250.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
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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
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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