*** ***
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 = 2402180154353263297.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 2402180154353263297.atom to be opened.
Openam> File opened: 2402180154353263297.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 = 188
First residue number = 96
Last residue number = 290
Number of atoms found = 199
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= 1.820075 +/- 7.597594 From: -16.942000 To: 20.028000
= -15.613467 +/- 10.288629 From: -37.068000 To: 4.885000
= 11.895739 +/- 9.359768 From: -7.801000 To: 32.625000
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 9.8021 % Filled.
Pdbmat> 17497 non-zero elements.
Pdbmat> 1812 atom-atom interactions.
Pdbmat> Number per atom= 18.21 +/- 5.65
Maximum number = 30
Minimum number = 5
Pdbmat> Matrix trace = 36240.0
Pdbmat> Larger element = 123.972
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 199 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) = 597
Diagstd> Number of non-zero elements 17497
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 36240.0000006
%Diagstd-Wn: Nb on non-zero elements there: 597
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 597 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 36240.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3456392 0.7326302 0.8716032 0.8957958
1.0597354 1.3947197 1.5722596 1.6593894 1.8502804
1.9465146 2.1577948 2.1709483 2.6999827 2.8705734
3.0699383 3.3053121 3.5538323 3.9137439 4.1415010
4.1736024 4.6842375 4.8631974 4.9049982 5.0617907
5.4331380 5.8349848 5.8597483 6.2209643 6.3655453
6.4622772 6.9056108 7.0063521 7.2762651 7.3835715
7.5129950 7.8577164 7.9577274 8.1474407 8.3841824
8.5310710 8.7872884 9.1475430 9.2605045 9.6683079
9.9186219 10.1423926 10.3017195 10.4147519 10.6753062
10.8095882 11.0984038 11.4940762 11.6285582 11.7678746
12.3099228 12.5549361 12.6322830 12.8440744 12.9294206
13.1410845 13.5783162 13.8097954 13.9784408 14.3747535
14.4509319 14.7378141 14.8482581 14.9313563 15.3030675
15.3843060 15.8068671 15.8281022 16.1409882 16.2859013
16.5227728 16.9035909 16.9903729 17.3792443 17.6192136
17.7914269 17.8885841 18.2621243 18.5228747 18.8064683
19.1143308 19.3299423 19.6886217 19.8825851 20.1074195
20.2398746 20.4582443 20.5320424 20.9898028 21.3182962
21.4322249 21.5123069 21.8146541 22.0525421 22.1094215
22.4126670 22.7375615 22.8375176 22.9800378 23.1437368
23.3521419 23.4959022 24.0220040 24.0317384 24.3394513
24.5868798 24.8208215 24.9233485 25.0988027 25.1477299
25.4832950 25.6491860 25.8733443 26.0637894 26.3127786
26.4088403 26.5337250 26.7567553 27.0967341 27.3509335
27.5270000 27.8282452 27.8610726 27.9349378 28.3010216
28.4049893 28.4993374 28.6581133 28.8790055 29.1170849
29.3539361 29.4348932 29.5400207 29.6293754 29.6949937
29.9729996 30.2065871 30.2108783 30.3421385 30.5002465
30.6741796 31.0850021 31.2649417 31.3537954 31.5912970
31.7045561 31.8965115 31.9660874 32.0737471 32.3623531
32.4408223 32.6224505 32.8216875 32.9952378 33.1858294
33.3169188 33.3655753 33.7544455 34.0084247 34.1320605
34.4295326 34.5084219 34.6535236 34.8634277 34.9906742
35.0693224 35.3338086 35.4852611 35.7396614 36.0445305
36.2432012 36.4996353 36.5321262 36.8293827 37.0995716
37.4016924 37.4332424 37.5452448 37.7891332 37.8877708
38.0868891 38.1416699 38.2647203 38.3643011 38.5181773
38.5648625 38.7663886 39.1739242 39.3773117 39.4254522
39.6544522 39.8475163 39.9561042 40.0870433 40.2877498
40.4139872 40.5723131 40.9326714 41.1309429 41.1961338
41.3208964 41.4494193 41.7236198 41.8136246 41.9375175
42.0286189 42.1440152 42.4568668 42.6499560 42.8020993
43.0232935 43.0709620 43.4114827 43.4375420 43.5003414
43.6671954 43.7126045 43.8700322 44.0707731 44.3343611
44.4847934 44.5081024 44.6583264 44.8431518 44.9656339
45.3231911 45.6785000 45.7881821 45.8116287 46.0220266
46.1261457 46.5252321 46.6321338 46.7954430 46.8193210
46.8453066 47.0773345 47.1956989 47.3220469 47.3758963
47.6749768 47.7608021 48.0653858 48.0736992 48.1943559
48.3207637 48.4673366 48.5910760 48.7185344 48.9116539
49.0759599 49.1673494 49.4090383 49.6408788 49.6545178
49.7460702 49.8171296 50.2380506 50.4007577 50.6254331
50.6694256 50.8476800 50.9874028 51.1061732 51.2585198
51.3573842 51.4299664 51.6303908 51.9988298 52.0570271
52.2317872 52.4129621 52.6197439 52.8185087 52.8423228
53.2831932 53.4428362 53.7680022 53.8049220 53.9898298
54.2611611 54.3448848 54.3735330 54.5921518 55.0056152
55.0519307 55.1004465 55.2117927 55.3405504 55.7348093
55.8836960 56.0795600 56.3346652 56.4355317 56.7130194
56.9734442 57.1138307 57.5152691 57.6400628 57.6962814
57.7891231 58.0802493 58.1225194 58.2436630 58.3407699
58.6072162 58.8679509 58.8964734 59.0664804 59.2828078
59.6191194 59.9329726 60.2208323 60.4302138 60.6751470
60.9341123 61.1737961 61.2895553 61.5965760 61.7248363
61.7876050 62.0440543 62.3211695 62.4934598 62.6225897
62.7013959 62.8757263 63.2830574 63.3586409 63.5954029
63.8232358 63.8405482 63.8566353 63.8993658 64.0629855
64.1617917 64.3206951 64.4075507 64.5335257 65.0440804
65.0795432 65.2354390 65.3660854 65.5027415 65.7767330
65.9028236 66.0925965 66.1884043 66.3904602 66.5479019
66.7857345 66.9291657 67.0180336 67.1769160 67.3909631
67.5670627 68.0125347 68.0900114 68.2628830 68.6289723
68.8461767 69.0886960 69.2034644 69.4064445 69.5571762
69.8364886 69.9993448 70.1074654 70.3940517 70.8259188
70.8717091 71.0615116 71.2070337 71.3731499 71.5252808
71.7619550 72.0150420 72.1251337 72.4992676 73.0024760
73.2212186 73.3785394 73.4909591 73.7703325 74.1997593
74.2335425 74.4698396 74.7138290 74.8693831 75.1733292
75.2625932 75.6891979 75.8938916 76.1613795 76.4716037
76.5972605 76.7867196 77.0801620 77.4251996 77.6612358
77.9258726 78.1225510 78.4418380 78.6853670 78.7822223
78.8621054 79.3066117 79.5039041 79.5912349 79.6358499
79.7826217 79.8962380 80.3102650 80.5297826 80.6089891
80.8898271 81.1032939 81.5440458 82.0682654 82.2968780
82.3633888 82.5064114 82.9188807 83.2113901 83.3385384
83.4111870 83.6386574 83.8766762 84.2122156 84.3596099
84.6811433 84.8338577 85.1211714 85.2074699 85.5045760
86.1168156 86.1765558 86.4759042 86.8714040 86.9877148
86.9921463 87.4063142 87.7813286 88.0240779 88.2842399
88.3771892 88.5537729 88.8740711 89.1547544 89.4706517
89.8644266 90.1855164 90.3775130 90.6546695 90.8942334
91.0318027 91.4431378 91.5464387 92.0051272 92.3972116
92.5504047 92.7149495 93.0724448 93.3740974 93.4472615
93.7551623 93.9591486 94.1758957 94.5917227 94.6461760
95.3393457 95.8384968 95.9300109 96.1278020 96.2300634
96.9008276 97.0302770 97.1366021 97.3373659 97.8787125
98.3147877 98.5163135 98.7515699 98.9412216 99.3384064
99.5679191 100.0748986 100.6748767 100.9405358 101.0193318
101.3821488 101.8300424 102.2504819 102.6191162 103.1681582
103.4532485 103.7248656 104.0813449 104.2585456 104.6337662
104.7804121 105.5008604 105.8282008 106.0707397 106.4799319
106.5657214 107.1438411 107.3410473 107.7228838 108.2387704
108.8272018 109.2661822 109.3681604 109.5488822 110.1778564
110.4864005 111.0860887 111.3873704 111.8386251 112.2568706
112.9790717 113.2870399 113.6752607 114.1662770 114.8979903
115.1620760 115.5919175 115.8783829 116.3191374 116.5768496
116.8721498 117.4630768 118.1919701 118.7084782 119.0977206
119.4281260 119.9872487 120.8533905 121.5623715 121.9221816
122.4751287 123.1378045 123.8535146 124.1262311 124.9636274
125.3256202 125.6084068 127.1389035 127.5773412 128.8483090
128.9989034 129.4915462 129.9462508 131.4961088 131.7860998
131.9290560 132.8137601 133.8502045 134.5718045 134.7612933
135.8559048 137.0242274 137.9465028 139.1486318 140.0769708
140.9241761 141.2284290 141.3993099 141.7199605 143.3332822
143.7379028 145.2634781 146.2422649 146.8813296 147.4968708
148.2651969 151.7043037 152.6349715 153.8865229 156.4381284
156.8605954 157.9661440 161.0311808 162.2225961 166.6773261
168.9763017 179.9471359
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034267 0.0034337 0.0034388 0.0034400 0.0034448
0.0034494 63.8420400 92.9474936 101.3805585 102.7779136
111.7876954 128.2444991 136.1624642 139.8844507 147.7114139
151.5040055 159.5145695 160.0000154 178.4332453 183.9838114
190.2655263 197.4247133 204.7122087 214.8282947 220.9907850
221.8455996 235.0253636 239.4728196 240.4997916 244.3134476
253.1166123 262.3101786 262.8662075 270.8470656 273.9763581
276.0502045 285.3621252 287.4360648 292.9203441 295.0723544
297.6472198 304.3991642 306.3301967 309.9601657 314.4312053
317.1736193 321.9012923 328.4335465 330.4552098 337.6529257
341.9959384 345.8322483 348.5380044 350.4449004 354.8015034
357.0260093 361.7641619 368.1563681 370.3038403 372.5154553
380.9982183 384.7711783 385.9545839 389.1765698 390.4674290
393.6505696 400.1457784 403.5421490 405.9987034 411.7138559
412.8033441 416.8807264 418.4398471 419.6091114 424.8000187
425.9260816 431.7359183 432.0258203 436.2750132 438.2290664
441.4044892 446.4622740 447.6068615 452.7002398 455.8149240
458.0371151 459.2860602 464.0565719 467.3577779 470.9219170
474.7607736 477.4309388 481.8400967 484.2077153 486.9377559
488.5389436 491.1673174 492.0524023 497.5073025 501.3852180
502.7231786 503.6615211 507.1885563 509.9464938 510.6037140
514.0934250 517.8061736 518.9430837 520.5598277 522.4106491
524.7574840 526.3702595 532.2306707 532.3384976 535.7358038
538.4519934 541.0075870 542.1238023 544.0286639 544.5586667
548.1798543 549.9612289 552.3591650 554.3883037 557.0300651
558.0459304 559.3638450 561.7098032 565.2671595 567.9124076
569.7373895 572.8464041 573.1841817 573.9434903 577.6919778
578.7521209 579.7124956 581.3251044 583.5611845 585.9616948
588.3401036 589.1508551 590.2020013 591.0939695 591.7481370
594.5116700 596.8237677 596.8661591 598.1613851 599.7178219
601.4253896 605.4394713 607.1892752 608.0514662 610.3500842
611.4431991 613.2913989 613.9599210 614.9929405 617.7536585
618.5021410 620.2311449 622.1222487 623.7648696 625.5638136
626.7981349 627.2556599 630.9003518 633.2694509 634.4195149
637.1781043 637.9076782 639.2474152 641.1805238 642.3495665
643.0710629 645.4914681 646.8733852 649.1880203 651.9510160
653.7452631 656.0539319 656.3458669 659.0107515 661.4236626
664.1113569 664.3914016 665.3846080 667.5422300 668.4128751
670.1669876 670.6487693 671.7297019 672.6031944 673.9507241
674.3590245 676.1187073 679.6632996 681.4253906 681.8417997
683.8191483 685.4817690 686.4151316 687.5389285 689.2579532
690.3369671 691.6878774 694.7528302 696.4334352 696.9851259
698.0397389 699.1244741 701.4331224 702.1892690 703.2287857
703.9921875 704.9579864 707.5697387 709.1768887 710.4406703
712.2740251 712.6685043 715.4801505 715.6948647 716.2120326
717.5843032 717.9573103 719.2489835 720.8926786 723.0453000
724.2709550 724.4606805 725.6822527 727.1823765 728.1747922
731.0642049 733.9241813 734.8047940 734.9929046 736.6787622
737.5116139 740.6952416 741.5457062 742.8430455 743.0325440
743.2387136 745.0770955 746.0131644 747.0110759 747.4359799
749.7915216 750.4661118 752.8552730 752.9203773 753.8646349
754.8526346 755.9966266 756.9610590 757.9531945 759.4539657
760.7284904 761.4364775 763.3056563 765.0943784 765.1994770
765.9045849 766.4514153 769.6826016 770.9279883 772.6443906
772.9800244 774.3384971 775.4016585 776.3042456 777.4604592
778.2098583 778.7595772 780.2755283 783.0546368 783.4927131
784.8067388 786.1666782 787.7159610 789.2023098 789.3802022
792.6663134 793.8528881 796.2642736 796.5376043 797.9051342
799.9075970 800.5244791 800.7354513 802.3435887 805.3762039
805.7152015 806.0701506 806.8841873 807.8244941 810.6969518
811.7790537 813.2003916 815.0479121 815.7772520 817.7803390
819.6558026 820.6650254 823.5440966 824.4370541 824.8390092
825.5023853 827.5791033 827.8801997 828.7425179 829.4330914
831.3249732 833.1721406 833.3739594 834.5758756 836.1027710
838.4710241 840.6751107 842.6915849 844.1552886 845.8643060
847.6674848 849.3329949 850.1362118 852.2628660 853.1497223
853.5834007 855.3529648 857.2610221 858.4451764 859.3316194
859.8721541 861.0666874 863.8513315 864.3670569 865.9805578
867.5303750 867.6480279 867.7573403 868.0476267 869.1582713
869.8282766 870.9047211 871.4925371 872.3443986 875.7883611
876.0270733 877.0756923 877.9535085 878.8707662 880.7069631
881.5506932 882.8190319 883.4586675 884.8061240 885.8546395
887.4361861 888.3886183 888.9782197 890.0313645 891.4481989
892.6121624 895.5498398 896.0597785 897.1965465 899.5991325
901.0215824 902.6071681 903.3565514 904.6803948 905.6622206
907.4787784 908.5362663 909.2376553 911.0941575 913.8846628
914.1800369 915.4033577 916.3401746 917.4083995 918.3856010
919.9037963 921.5245069 922.2286202 924.6174591 927.8207382
929.2097467 930.2074464 930.9197363 932.6874880 935.3981970
935.6111168 937.0990327 938.6329102 939.6095186 941.5148462
942.0736772 944.7398435 946.0164571 947.6821076 949.6102185
950.3900898 951.5647326 953.3812131 955.5126636 956.9680289
958.5971142 959.8060618 961.7654265 963.2572081 963.8498718
964.3384073 967.0523352 968.2544646 968.7861062 969.0575956
969.9501887 970.6405832 973.1522918 974.4813764 974.9604926
976.6573748 977.9452165 980.5989140 983.7458365 985.1150645
985.5130596 986.3683519 988.8308237 990.5734165 991.3299333
991.7619249 993.1133198 994.5254157 996.5126749 997.3843783
999.2833167 1000.1839670 1001.8762374 1002.3839753 1004.1300384
1007.7185692 1008.0680416 1009.8173683 1012.1239473 1012.8012793
1012.8270771 1015.2352388 1017.4108272 1018.8166231 1020.3211084
1020.8580852 1021.8774483 1023.7238410 1025.3391361 1027.1540445
1029.4118993 1031.2493277 1032.3464610 1033.9281738 1035.2934012
1036.0765684 1038.4147310 1039.0010999 1041.6007774 1043.8178346
1044.6827926 1045.6110478 1047.6249698 1049.3213002 1049.7323218
1051.4602894 1052.6035168 1053.8169023 1056.1408666 1056.4448156
1060.3063536 1063.0783582 1063.5857920 1064.6816926 1065.2478500
1068.9540165 1069.6677838 1070.2536903 1071.3591300 1074.3342078
1076.7247678 1077.8277385 1079.1138949 1080.1496129 1082.3154913
1083.5650678 1086.3202112 1089.5717473 1091.0083719 1091.4341192
1093.3923379 1095.8049113 1098.0647802 1100.0423754 1102.9812225
1104.5041359 1105.9531263 1107.8519536 1108.7946234 1110.7880760
1111.5661971 1115.3810996 1117.1101211 1118.3894948 1120.5446401
1120.9959535 1124.0325455 1125.0665027 1127.0657850 1129.7613294
1132.8280955 1135.1105618 1135.6401384 1136.5780263 1139.8361840
1141.4310776 1144.5245643 1146.0755724 1148.3947278 1150.5400633
1154.2351117 1155.8071983 1157.7859091 1160.2837225 1163.9960228
1165.3329408 1167.5057129 1168.9515017 1171.1725012 1172.4691859
1173.9532344 1176.9173532 1180.5632674 1183.1400320 1185.0781887
1186.7208946 1189.4955668 1193.7811023 1197.2776136 1199.0482038
1201.7641171 1205.0109222 1208.5077723 1209.8375643 1213.9116849
1215.6686341 1217.0393877 1224.4315484 1226.5409540 1232.6354167
1233.3555418 1235.7083708 1237.8760405 1245.2361817 1246.6084972
1247.2844491 1251.4595488 1256.3330932 1259.7150507 1260.6016329
1265.7109574 1271.1416858 1275.4123784 1280.9575876 1285.2234794
1289.1042270 1290.4950537 1291.2755422 1292.7388230 1300.0761860
1301.9099083 1308.8006424 1313.2025959 1316.0687527 1318.8235193
1322.2540005 1337.5013560 1341.5977006 1347.0867786 1358.2089441
1360.0416543 1364.8260047 1378.0033362 1383.0916326 1401.9532852
1411.5887243 1456.6920483
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402180154353263297.eigenfacs
Openam> file on opening on unit 10:
2402180154353263297.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402180154353263297.atom
Openam> file on opening on unit 11:
2402180154353263297.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 = 188
First residue number = 96
Last residue number = 290
Number of atoms found = 199
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: 9.9576E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9988E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0028E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0035E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0063E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0090E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7326
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8716
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.395
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: 1.659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.850
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.947
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.171
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.700
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.554
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.914
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.174
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.684
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.905
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.062
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.433
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.835
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.860
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.906
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.006
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.276
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.384
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.513
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.858
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.147
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.384
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.787
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.148
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.261
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.668
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.919
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 19.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 20.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 20.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 21.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 22.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 22.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 22.41
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 597 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 : 0.345600
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= 0.649 for 199 C-alpha atoms.
Bfactors> = 1.639 +/- 3.05
Bfactors> = 21.881 +/- 10.26
Bfactors> Shiftng-fct= 20.243
Bfactors> Scaling-fct= 3.368
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402180154353263297 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=0
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=100
2402180154353263297.eigenfacs
2402180154353263297.atom
making animated gifs
11 models are in 2402180154353263297.7.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 2402180154353263297.7.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 2402180154353263297.7.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 2402180154353263297 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=0
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=100
2402180154353263297.eigenfacs
2402180154353263297.atom
making animated gifs
11 models are in 2402180154353263297.8.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 2402180154353263297.8.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 2402180154353263297.8.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 2402180154353263297 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=0
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=100
2402180154353263297.eigenfacs
2402180154353263297.atom
making animated gifs
11 models are in 2402180154353263297.9.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 2402180154353263297.9.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 2402180154353263297.9.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 2402180154353263297 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=0
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=100
2402180154353263297.eigenfacs
2402180154353263297.atom
making animated gifs
11 models are in 2402180154353263297.10.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 2402180154353263297.10.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 2402180154353263297.10.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 2402180154353263297 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=0
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=100
2402180154353263297.eigenfacs
2402180154353263297.atom
making animated gifs
11 models are in 2402180154353263297.11.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 2402180154353263297.11.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 2402180154353263297.11.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 2402180154353263297 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=0
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=100
2402180154353263297.eigenfacs
2402180154353263297.atom
making animated gifs
11 models are in 2402180154353263297.12.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 2402180154353263297.12.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 2402180154353263297.12.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 2402180154353263297 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=0
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=100
2402180154353263297.eigenfacs
2402180154353263297.atom
making animated gifs
11 models are in 2402180154353263297.13.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 2402180154353263297.13.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 2402180154353263297.13.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 2402180154353263297 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=0
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=100
2402180154353263297.eigenfacs
2402180154353263297.atom
making animated gifs
11 models are in 2402180154353263297.14.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 2402180154353263297.14.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 2402180154353263297.14.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 2402180154353263297 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=0
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=100
2402180154353263297.eigenfacs
2402180154353263297.atom
making animated gifs
11 models are in 2402180154353263297.15.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 2402180154353263297.15.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 2402180154353263297.15.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 2402180154353263297 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=-20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=0
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=20
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=40
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=60
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=80
2402180154353263297.eigenfacs
2402180154353263297.atom
calculating perturbed structure for DQ=100
2402180154353263297.eigenfacs
2402180154353263297.atom
making animated gifs
11 models are in 2402180154353263297.16.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 2402180154353263297.16.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 2402180154353263297.16.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
2402180154353263297.10.pdb
2402180154353263297.11.pdb
2402180154353263297.12.pdb
2402180154353263297.13.pdb
2402180154353263297.14.pdb
2402180154353263297.15.pdb
2402180154353263297.16.pdb
2402180154353263297.7.pdb
2402180154353263297.8.pdb
2402180154353263297.9.pdb
STDERR:
real 0m3.035s
user 0m3.031s
sys 0m0.004s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2402180154353263297.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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
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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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
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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