*** ***
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 = 2404140341484168739.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 2404140341484168739.atom to be opened.
Openam> File opened: 2404140341484168739.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 = 193
First residue number = 96
Last residue number = 288
Number of atoms found = 208
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 28.885312 +/- 9.111764 From: 9.459000 To: 50.005000
= 3.125255 +/- 8.113490 From: -17.366000 To: 24.174000
= -32.324683 +/- 10.035265 From: -50.628000 To: -10.317000
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 9.7574 % Filled.
Pdbmat> 19027 non-zero elements.
Pdbmat> 1976 atom-atom interactions.
Pdbmat> Number per atom= 19.00 +/- 6.41
Maximum number = 35
Minimum number = 5
Pdbmat> Matrix trace = 39520.0
Pdbmat> Larger element = 133.361
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 208 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) = 624
Diagstd> Number of non-zero elements 19027
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 39520.0000006
%Diagstd-Wn: Nb on non-zero elements there: 624
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 624 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 39520.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.8066111 0.8478532 0.8930388 0.9952644
1.1707635 1.4245250 1.5718415 2.0452479 2.1517760
2.1960535 2.4183284 2.5956537 2.8237752 2.9548522
3.1670622 3.3722505 3.5929458 3.7458565 4.0555269
4.1836622 4.4715368 4.5444115 4.6689536 5.0905739
5.1418432 5.3714412 5.7656704 5.9830568 6.0154154
6.1814581 6.7562933 7.0142038 7.0470695 7.3016914
7.6239443 7.7547417 8.1438670 8.2237813 8.4471991
8.7339835 8.8733034 9.1444329 9.2507769 9.7987163
9.8660655 10.2249919 10.4084715 10.6964799 10.9273800
10.9904881 11.2153071 11.3132915 11.5703648 11.6587340
11.8760931 12.0416022 12.2500733 12.4825234 12.7136776
12.7581688 13.0941987 13.3846505 13.6063494 13.9319601
14.0411766 14.3705800 14.6656081 14.7457034 14.8917821
15.0819977 15.4596013 15.7323907 15.8761391 16.3981667
16.6585939 16.8855225 16.9064470 16.9367026 17.2653315
17.6940107 17.7127436 18.0230668 18.2852414 18.4251165
18.6945515 18.9237120 19.2251370 19.4784203 19.5839328
19.9939872 20.1666395 20.3409619 20.6495822 20.8847713
21.0523847 21.4474134 21.5851577 21.6322602 21.9087751
22.1439642 22.3947160 22.5614723 22.6635738 22.7578046
22.9950438 23.2356570 23.4118132 23.6190413 23.9419861
23.9653449 24.0630937 24.2361558 24.4164893 24.4950724
24.8847785 25.0011802 25.3169066 25.5508827 25.8961171
26.0312897 26.2688808 26.4661956 26.5817114 27.0717039
27.1137049 27.1924488 27.4558036 27.6124103 27.6703610
27.6992776 27.9919382 28.0759387 28.3428856 28.4968018
28.6654892 28.9530972 29.1731991 29.3433568 29.4616570
29.6103521 29.7316018 29.8174007 29.9491407 30.1381931
30.1473839 30.4638178 30.7402179 30.9390502 31.0118536
31.1407230 31.3712230 31.6231204 31.8148901 32.0294718
32.1531456 32.3250447 32.4367821 32.6838729 32.8365960
32.9186590 33.2881213 33.3986102 33.6540104 33.7789478
33.9307909 34.0902442 34.2361760 34.3676158 34.4823818
34.7552030 34.8740499 35.2310993 35.3763397 35.5430014
35.8105799 36.0080426 36.0927073 36.2791284 36.5707490
36.6621551 36.8634781 37.0251915 37.2521170 37.3258181
37.5172320 37.6205552 37.7693395 37.8934849 38.1109171
38.2132390 38.4478166 38.5588399 38.9212252 39.0449038
39.0572555 39.2049539 39.3801366 39.6574863 39.7350028
39.9047173 40.0425513 40.1954361 40.3209550 40.5371612
40.7773081 40.7794527 40.8644180 40.9299371 40.9603147
41.0792903 41.3578185 41.5084714 41.6828836 41.8471901
41.9751610 42.0526049 42.3777599 42.5487459 42.6639477
42.8202601 43.0441447 43.2013777 43.4564745 43.5367184
43.6856437 43.7375793 44.0186769 44.2893569 44.3498017
44.6036932 44.6815224 45.0010210 45.1435364 45.3016069
45.3858264 45.5261641 45.6979141 46.0064231 46.1270448
46.1511764 46.4011821 46.5557300 46.9741456 47.2628064
47.2964446 47.5497211 47.6120018 47.7234439 47.9650720
47.9835483 48.0558640 48.5477865 48.6828988 48.7965570
48.8968518 49.1486697 49.3061901 49.5913415 49.6643698
49.7440575 49.8538317 49.9865993 50.1332880 50.2860380
50.3751400 50.6269834 50.7873689 51.0515201 51.1820740
51.4370301 51.5391098 51.7905032 51.8762866 52.2430701
52.3417934 52.4653642 52.5699356 52.7410218 52.8573654
53.0693428 53.5901732 53.6289233 53.8668564 54.0783047
54.3101935 54.3665966 54.5994440 54.7596585 55.0267803
55.1743215 55.3716790 55.5180221 55.7647054 55.8264543
55.9035970 56.2759585 56.3642579 56.7965993 56.9670958
57.0519942 57.3193054 57.4164635 57.5729576 57.7752464
57.9163024 58.1070826 58.2421571 58.3584499 58.5127052
58.5753165 58.8384308 59.0059524 59.1541299 59.2981045
59.3298643 59.7261458 59.7473715 59.9077291 59.9698112
60.1800004 60.4761015 60.6325890 60.9473080 61.2710756
61.4728862 61.5349432 61.7612683 62.0679564 62.2875045
62.3521320 62.5629250 62.7242656 63.1843858 63.1889484
63.2999258 63.5677289 63.9647694 64.0032001 64.1430743
64.3122438 64.4189593 64.7333341 64.8734759 65.2451872
65.5440386 65.5697704 65.8085731 65.9214418 66.3713086
66.5957462 66.7321851 66.7377599 66.9942453 67.0859200
67.4242396 67.5644954 67.8171317 68.0349046 68.1879987
68.2268860 68.3694124 68.5453843 68.7871270 68.9140335
69.0766402 69.2941879 69.8873347 69.9196502 70.1134457
70.2742075 70.3546071 70.4550104 70.7882803 70.9419361
70.9804423 71.1850143 71.2911370 71.3115621 71.6678072
72.1436270 72.3240043 72.6681333 72.7330560 72.9399837
73.0093684 73.1389616 73.3199388 73.5227780 73.7811811
73.9763788 74.1841961 74.3469204 74.4888517 74.6391165
74.9173106 75.2796804 75.7126792 75.8291335 76.1892369
76.2361114 76.3797903 76.5964120 76.8173593 76.9999848
77.2658933 77.4221324 77.8178794 77.9063315 78.1647272
78.3985412 78.6510941 78.9687342 79.1263664 79.2878842
79.4047403 79.6102589 79.9763450 80.0200356 80.3500621
80.4297106 80.5056152 80.6431788 80.7898661 81.3081406
81.5210511 81.7049355 81.9751083 82.2258679 82.5542991
82.7037331 83.2951893 83.6942766 83.7466257 83.9465261
84.0377310 84.4102439 84.5645269 84.7769223 85.0067690
85.3838045 85.6311631 85.8372173 86.1749803 86.2857956
86.5505957 86.6539258 87.0500555 87.2051233 87.5765204
87.8252695 87.9215416 87.9808354 88.5353696 88.6168381
88.8401222 88.8879791 89.1006830 89.4249875 89.7403488
90.3502394 90.6547765 90.7212217 91.3745865 91.4762986
92.0167163 92.2547369 92.6299180 92.7085180 92.8796805
93.1627887 93.4146651 93.5554481 93.7863156 94.0675717
94.2803396 94.4466310 94.6241168 95.0129005 95.1629964
95.5460019 95.7115700 95.9081110 96.0937981 96.3818541
96.8355766 97.3167533 97.3747070 97.6151888 97.8690371
98.0663704 98.4979773 98.8287706 99.2340160 99.5228283
99.5568514 99.6620833 99.8583082 100.1435099 100.4130498
101.0217017 101.2512846 101.4154017 101.6095011 102.2147075
102.9460059 103.0757155 103.5323673 103.6314908 103.9177635
104.1212440 104.4443470 104.9655163 105.4592781 105.6439684
105.9956651 106.3437408 106.8416078 107.3165288 107.4088603
108.3620047 108.4710272 108.6933752 109.0709718 109.1227528
109.2637838 109.5959716 109.8536908 110.2880027 110.6698376
110.8439497 111.3772509 111.9258825 112.0194808 112.5860946
113.0166973 113.4036894 113.8409047 114.0674921 114.3902816
114.6263851 114.7426346 115.6595823 116.0336174 116.3845347
116.6603803 117.3446353 117.8086991 118.0029204 118.7020162
119.2269414 119.3540942 119.6385394 119.9403840 120.7041327
121.3769519 122.0285300 122.2191432 122.4204402 122.4463386
123.0035049 123.3284353 124.1103523 124.3435492 124.6466277
125.1496807 126.4054967 126.6471626 126.7273001 126.7763813
127.2714678 127.7005265 128.2503874 128.8323551 129.6098896
129.7550695 130.5451087 130.6597542 131.2978709 131.7460191
131.9450703 132.4004556 132.9527370 133.3662328 134.1849680
134.3266809 135.0329541 136.0369678 136.3480490 136.7206834
138.2389270 139.3194495 139.9476742 141.3852236 141.8512920
143.5945872 144.5996956 145.1799726 146.5205620 147.4799155
148.3822556 148.8829088 150.5124879 151.0391080 151.9690909
153.4665172 154.0754001 155.6949464 157.8036233 160.7512719
164.0349142 166.7831034 167.7544965 169.2715710 175.6376679
176.5789074 181.0529557 182.3296613 194.5077162
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034074 0.0034352 0.0034393 0.0034508 0.0034547
0.0034601 97.5275648 99.9897773 102.6196303 108.3339324
117.4978355 129.6075567 136.1443622 155.2988569 159.2919445
160.9224890 168.8701629 174.9518970 182.4779276 186.6651157
193.2518144 199.4137919 205.8356592 210.1700605 218.6849644
222.1127994 229.6273868 231.4909968 234.6416266 245.0070913
246.2377835 251.6753566 260.7475209 265.6175959 266.3349082
269.9856892 282.2601231 287.5970778 288.2700730 293.4316924
299.8369412 302.3980239 309.8921794 311.4089255 315.6106476
320.9234577 323.4729334 328.3777095 330.2816031 339.9224692
341.0886570 347.2376168 350.3392202 355.1531893 358.9659894
360.0010524 363.6644634 365.2496163 369.3761132 370.7839935
374.2243799 376.8230128 380.0709042 383.6599572 387.1960142
387.8729137 392.9476934 397.2819178 400.5586278 405.3231333
406.9087524 411.6540840 415.8582462 416.9922919 419.0526745
421.7205031 426.9671130 430.7176236 432.6809034 439.7369181
443.2150006 446.2235965 446.4999905 446.8993374 451.2141821
456.7814123 457.0231486 461.0092361 464.3501916 466.1228584
469.5186043 472.3875529 476.1348849 479.2610635 480.5573624
485.5623279 487.6542881 489.7574183 493.4588193 496.2609956
498.2484184 502.9012813 504.5136177 505.0637853 508.2815300
511.0024306 513.8875075 515.7972222 516.9630194 518.0366214
520.7297624 523.4470528 525.4275072 527.7477773 531.3434940
531.6026314 532.6856667 534.5977768 536.5829766 537.4457636
541.7041589 542.9696255 546.3873047 548.9063241 552.6021947
554.0425549 556.5652219 558.6515903 559.8694229 565.0060213
565.4441472 566.2646361 569.0001222 570.6205909 571.2190632
571.5174581 574.5287489 575.3901495 578.1190924 579.6867062
581.3999088 584.3092946 586.5260537 588.2340739 589.4186384
590.9041857 592.1127786 592.9665175 594.2750034 596.1477183
596.2386104 599.3595712 602.0724445 604.0164529 604.7266986
605.9818632 608.2204314 610.6574237 612.5062071 614.5683190
615.7536767 617.3974728 618.4636254 620.8147646 622.2635253
623.0406001 626.5271892 627.5661033 629.9610420 631.1292942
632.5462302 634.0307715 635.3863867 636.6049083 637.6669497
640.1845593 641.2781941 644.5526188 645.8798382 647.3994550
649.8317954 651.6209481 652.3865665 654.0692061 656.6927295
657.5128961 659.3157257 660.7602928 662.7820831 663.4373964
665.1363376 666.0516074 667.3673803 668.4632770 670.3783502
671.2776778 673.3348937 674.3063659 677.4676032 678.5431313
678.6504503 679.9324274 681.4498326 683.8453082 684.5133212
685.9735964 687.1572777 688.4678312 689.5419382 691.3881730
693.4330816 693.4513164 694.1733541 694.7296253 694.9873868
695.9960045 698.3515345 699.6223104 701.0906220 702.4710507
703.5443269 704.1930454 706.9102491 708.3349363 709.2932053
710.5913730 712.4466057 713.7466428 715.8508175 716.5114350
717.7358674 718.1623807 720.4664681 722.6782222 723.1711986
725.2382314 725.8706919 728.4612657 729.6138492 730.8901078
731.5691850 732.6993562 734.0801297 736.5538685 737.5188012
737.7116943 739.7071260 740.9379688 744.2600796 746.5433535
746.8089736 748.8059164 749.2961493 750.1725497 752.0692479
752.2140834 752.7806982 756.6237979 757.6759384 758.5598814
759.3390410 761.2918209 762.5108070 764.7125343 765.2753858
765.8890907 766.7336997 767.7539795 768.8796648 770.0501146
770.7320397 772.6562209 773.8791350 775.8890438 776.8804994
778.8130550 779.5854710 781.4844588 782.1313982 784.8914997
785.6327509 786.5595821 787.3430580 788.6232016 789.4925507
791.0740440 794.9464249 795.2337790 796.9959163 798.5586429
800.2689287 800.6843752 802.3971735 803.5735729 805.5311356
806.6103324 808.0516595 809.1187641 810.9143511 811.3631942
811.9235842 814.6231182 815.2619571 818.3827126 819.6101351
820.2206424 822.1399261 822.8364081 823.9570051 825.4032666
826.4102477 827.7702536 828.7318042 829.5587605 830.6543978
831.0986985 832.9632123 834.1481529 835.1948651 836.2106336
836.4345388 839.2232853 839.3723950 840.4980476 840.9334367
842.4058485 844.4757325 845.5676064 847.7592635 850.0080379
851.4067369 851.8363767 853.4014636 855.5177081 857.0294508
857.4739481 858.9221503 860.0289545 863.1776054 863.2087704
863.9664552 865.7921184 868.4917547 868.7526150 869.7013935
870.8475037 871.5697175 873.6938288 874.6390518 877.1412213
879.1477707 879.3203251 880.9200959 881.6752080 884.6784950
886.1730230 887.0803375 887.1173902 888.8204327 889.4283543
891.6682623 892.5952043 894.2624373 895.6971044 896.7042999
896.9599565 897.8963455 899.0511234 900.6350941 901.4655096
902.5284132 903.9484927 907.8090739 908.0189325 909.2764342
910.3182688 910.8388602 911.4885595 913.6418008 914.6328567
914.8810475 916.1984832 916.8811637 917.0124992 919.3001663
922.3468452 923.4991753 925.6936455 926.1070664 927.4235322
927.8645364 928.6876608 929.8359368 931.1212420 932.7560655
933.9891143 935.3000931 936.3253299 937.2186450 938.1634846
939.9102147 942.1806131 944.8863769 945.6127668 947.8554079
948.1469409 949.0399865 950.3848254 951.7545619 952.8852401
954.5291489 955.4937366 957.9326505 958.4769156 960.0651133
961.4999612 963.0474032 964.9901242 965.9527686 966.9381486
967.6504325 968.9018797 971.1270617 971.3922861 973.3933809
973.8757085 974.3351421 975.1672322 976.0537275 979.1794602
980.4606438 981.5658175 983.1873450 984.6899678 986.6545606
987.5471432 991.0720766 993.4434719 993.7541125 994.9394350
995.4797714 997.6836562 998.5950113 999.8482787 1001.2027530
1003.4206427 1004.8730564 1006.0813429 1008.0588263 1008.7067666
1010.2533774 1010.8562527 1013.1641320 1014.0661374 1016.2232412
1017.6654396 1018.2230577 1018.5663418 1021.7712593 1022.2412581
1023.5282971 1023.8039398 1025.0281605 1026.8918910 1028.7009880
1032.1906819 1033.9287843 1034.3076226 1038.0254287 1038.6029980
1041.6663760 1043.0127503 1045.1314579 1045.5747809 1046.5395287
1048.1333031 1049.5492213 1050.3397990 1051.6349662 1053.2106616
1054.4010978 1055.3305627 1056.3216955 1058.4895342 1059.3252749
1061.4548842 1062.3741640 1063.4643819 1064.4933678 1066.0876653
1068.5940501 1071.2456862 1071.5646105 1072.8869914 1074.2811072
1075.3635976 1077.7274294 1079.5356198 1081.7466626 1083.3196857
1083.5048431 1084.0773256 1085.1440220 1086.6925374 1088.1539911
1091.4469215 1092.6864339 1093.5716373 1094.6176328 1097.8726731
1101.7930563 1102.4869548 1104.9264057 1105.4552157 1106.9810231
1108.0642785 1109.7821872 1112.5476056 1115.1612689 1116.1373296
1117.9936385 1119.8278053 1122.4460803 1124.9380036 1125.4218287
1130.4042864 1130.9727906 1132.1313526 1134.0961382 1134.3653098
1135.0981043 1136.8222783 1138.1581343 1140.4057968 1142.3782255
1143.2764997 1146.0235107 1148.8426335 1149.3228947 1152.2259646
1154.4272939 1156.4021014 1158.6291467 1159.7816334 1161.4214556
1162.6194349 1163.2088268 1167.8473779 1169.7342227 1171.5016849
1172.8891648 1176.3238437 1178.6475574 1179.6187258 1183.1078288
1185.7209186 1186.3530222 1187.7658418 1189.2632472 1193.0436960
1196.3641586 1199.5710332 1200.5075556 1201.4957767 1201.6228602
1204.3536233 1205.9433056 1209.7601776 1210.8961823 1212.3710209
1214.8150211 1220.8948450 1222.0613598 1222.4479355 1222.6846381
1225.0697233 1227.1329685 1229.7720635 1232.5591024 1236.2729037
1236.9651029 1240.7251408 1241.2698270 1244.2971949 1246.4189145
1247.3601480 1249.5108166 1252.1141440 1254.0597302 1257.9031764
1258.5672373 1261.8715958 1266.5541194 1268.0014326 1269.7329520
1276.7634964 1281.7435926 1284.6301866 1291.2112219 1293.3376731
1301.2607043 1305.8069318 1308.4244025 1314.4515055 1318.7477157
1322.7758719 1325.0055667 1332.2371733 1334.5657848 1338.6680958
1345.2472064 1347.9132186 1354.9789191 1364.1237353 1376.8051733
1390.7959845 1402.3980705 1406.4761278 1412.8214916 1439.1435355
1442.9945571 1461.1610603 1466.3037418 1514.4805411
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404140341484168739.eigenfacs
Openam> file on opening on unit 10:
2404140341484168739.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404140341484168739.atom
Openam> file on opening on unit 11:
2404140341484168739.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 = 193
First residue number = 96
Last residue number = 288
Number of atoms found = 208
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: 9.8458E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0031E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0098E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0121E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0153E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8066
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8479
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8930
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9953
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.171
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.425
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.572
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.045
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.152
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.196
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.418
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.596
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.824
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.955
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.167
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.372
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.593
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.746
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.056
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.184
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.472
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.544
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.669
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.091
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.371
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.766
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.983
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.015
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.181
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.756
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.302
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.624
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.755
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.224
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.447
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.734
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.251
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.799
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.866
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 22.14
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 624 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 : 0.806600
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= 0.399 for 208 C-alpha atoms.
Bfactors> = 1.392 +/- 2.27
Bfactors> = 18.653 +/- 7.36
Bfactors> Shiftng-fct= 17.261
Bfactors> Scaling-fct= 3.243
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404140341484168739 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=0
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=100
2404140341484168739.eigenfacs
2404140341484168739.atom
making animated gifs
11 models are in 2404140341484168739.7.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 2404140341484168739.7.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 2404140341484168739.7.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 2404140341484168739 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=0
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=100
2404140341484168739.eigenfacs
2404140341484168739.atom
making animated gifs
11 models are in 2404140341484168739.8.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 2404140341484168739.8.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 2404140341484168739.8.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 2404140341484168739 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=0
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=100
2404140341484168739.eigenfacs
2404140341484168739.atom
making animated gifs
11 models are in 2404140341484168739.9.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 2404140341484168739.9.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 2404140341484168739.9.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 2404140341484168739 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=0
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=100
2404140341484168739.eigenfacs
2404140341484168739.atom
making animated gifs
11 models are in 2404140341484168739.10.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 2404140341484168739.10.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 2404140341484168739.10.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 2404140341484168739 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=0
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=100
2404140341484168739.eigenfacs
2404140341484168739.atom
making animated gifs
11 models are in 2404140341484168739.11.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 2404140341484168739.11.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 2404140341484168739.11.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 2404140341484168739 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=0
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=100
2404140341484168739.eigenfacs
2404140341484168739.atom
making animated gifs
11 models are in 2404140341484168739.12.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 2404140341484168739.12.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 2404140341484168739.12.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 2404140341484168739 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=0
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=100
2404140341484168739.eigenfacs
2404140341484168739.atom
making animated gifs
11 models are in 2404140341484168739.13.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 2404140341484168739.13.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 2404140341484168739.13.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 2404140341484168739 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=0
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=100
2404140341484168739.eigenfacs
2404140341484168739.atom
making animated gifs
11 models are in 2404140341484168739.14.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 2404140341484168739.14.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 2404140341484168739.14.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 2404140341484168739 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=0
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=100
2404140341484168739.eigenfacs
2404140341484168739.atom
making animated gifs
11 models are in 2404140341484168739.15.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 2404140341484168739.15.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 2404140341484168739.15.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 2404140341484168739 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=-20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=0
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=20
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=40
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=60
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=80
2404140341484168739.eigenfacs
2404140341484168739.atom
calculating perturbed structure for DQ=100
2404140341484168739.eigenfacs
2404140341484168739.atom
making animated gifs
11 models are in 2404140341484168739.16.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 2404140341484168739.16.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 2404140341484168739.16.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
2404140341484168739.10.pdb
2404140341484168739.11.pdb
2404140341484168739.12.pdb
2404140341484168739.13.pdb
2404140341484168739.14.pdb
2404140341484168739.15.pdb
2404140341484168739.16.pdb
2404140341484168739.7.pdb
2404140341484168739.8.pdb
2404140341484168739.9.pdb
STDERR:
real 0m3.558s
user 0m3.550s
sys 0m0.008s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404140341484168739.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
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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
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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