*** ***
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 = 240414231133203012.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 240414231133203012.atom to be opened.
Openam> File opened: 240414231133203012.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 = 184
First residue number = 97
Last residue number = 1292
Number of atoms found = 184
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 125.079875 +/- 9.559304 From: 104.174000 To: 144.873000
= -28.771408 +/- 8.008057 From: -46.624000 To: -8.704000
= -263.865310 +/- 9.676259 From: -284.180000 To: -243.328000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> 1 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 10.0427 % Filled.
Pdbmat> 15328 non-zero elements.
Pdbmat> 1581 atom-atom interactions.
Pdbmat> Number per atom= 17.18 +/- 5.38
Maximum number = 29
Minimum number = 6
Pdbmat> Matrix trace = 31620.0
Pdbmat> Larger element = 107.258
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 184 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) = 552
Diagstd> Number of non-zero elements 15328
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 31620.0000006
%Diagstd-Wn: Nb on non-zero elements there: 552
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 552 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 31620.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3047099 0.7503917 0.8363517 0.9321330
1.1254698 1.5202689 1.6078820 2.0468334 2.2231113
2.3155364 2.6069627 2.7125080 2.9978070 3.2112083
3.3493838 3.5105740 3.5736731 3.7062695 3.8437343
3.9195899 4.2506645 4.6639747 4.7331549 4.9544292
5.0704591 5.3327828 5.5608998 5.8116602 6.0816032
6.2609911 6.5205134 6.9929766 7.1826171 7.3200743
7.6924149 7.8450738 7.9294248 8.1435399 8.2904313
8.7624438 8.9756142 9.4729743 9.5382048 9.6658189
9.7990417 9.9755293 10.2156586 10.3607675 10.6856493
10.7640161 11.1269539 11.1869976 11.4632830 11.5566587
11.8074809 12.1577142 12.4522966 12.6037103 12.6982151
13.1174836 13.3094784 13.5739333 13.7907103 14.1613741
14.3030533 14.6205866 14.8642527 14.8810219 15.0732978
15.1834199 15.3637475 15.5122594 15.9073562 16.0471670
16.2921108 16.3750026 16.6811142 16.7841619 16.9333955
17.4758225 17.5804721 17.6496531 18.0815081 18.1494258
18.4774612 18.8001462 18.8910542 19.3214151 19.6306048
19.8591957 19.9166203 20.2185423 20.2955798 20.5750729
20.7388256 20.8142276 21.3382299 21.5727578 21.6687045
22.0033460 22.2282598 22.3096762 22.6109923 22.8893682
23.0630395 23.1587712 23.5193367 23.7420435 24.0345869
24.0672589 24.2573527 24.5156610 25.0603733 25.2279143
25.5642653 25.6009764 25.7274270 25.7942756 25.9935166
26.1924494 26.4949069 26.6783267 26.8106795 26.8677544
27.2465584 27.4680348 27.6756279 27.7424243 27.9721223
28.0726549 28.1808262 28.3508646 28.4545539 28.6232361
28.6917064 28.8194609 28.8987757 29.1336720 29.2804018
29.5772917 29.6768962 29.8568983 29.9921038 30.1840542
30.5355357 30.5962972 30.9313830 31.1246195 31.1965612
31.4309251 31.7401524 31.8935043 32.0664541 32.1345810
32.2630889 32.5136093 32.5263982 32.9636914 33.1910472
33.5213821 33.7210446 33.9981963 34.1671369 34.2618863
34.4614458 34.6707357 34.8622535 34.9603086 35.0342900
35.3053672 35.4320009 35.6525767 35.9274307 36.1422152
36.2010134 36.4861761 36.6738895 36.7357704 36.8380694
37.0846011 37.3002536 37.6645563 37.7575066 37.8960872
38.3166917 38.3909821 38.6541418 38.7850599 38.8797713
38.9946651 39.2520702 39.3126608 39.6962902 40.0127363
40.1951432 40.2471774 40.5069942 40.6116665 40.7806034
40.9245837 40.9729940 41.1982086 41.2975303 41.4857774
41.7164821 41.8968450 42.0845224 42.2692211 42.5534128
42.6411757 42.6902607 42.9516687 43.0581965 43.2197909
43.4798483 43.5248103 43.6571821 43.6631335 43.9443806
44.1086318 44.1339003 44.2932968 44.5511923 44.6896570
44.7789781 45.0898800 45.3953744 45.5770394 45.6666201
45.7315638 45.9321080 45.9656320 46.2670518 46.4072149
46.5447283 46.6660453 46.9129278 47.0316684 47.1401752
47.3395620 47.5648770 47.7641125 47.8545429 48.1105981
48.4389797 48.6057157 48.7346128 48.9089167 49.1745047
49.2262673 49.3471069 49.4517771 49.6531570 49.8563394
50.1731292 50.4278083 50.4966964 50.6406794 50.7970956
51.0795824 51.2805552 51.5322978 51.6682879 51.8062917
52.0467859 52.1745319 52.5022735 52.6024443 52.8636421
52.9801263 53.1474143 53.2586881 53.3946241 53.6981114
53.7311788 53.8415396 54.1020326 54.2174355 54.4556139
54.5584311 54.6721763 55.0205811 55.1551794 55.3830962
55.6166519 55.7627258 56.0715812 56.2618758 56.5787394
56.6713362 56.9179211 56.9966949 57.0925938 57.2509354
57.5144741 57.6412914 57.8333992 58.0140227 58.4014284
58.6384570 58.7518127 58.8278535 58.9815229 59.1180579
59.4903550 59.5458087 59.8752702 60.1484043 60.2311692
60.4154907 60.6019580 60.7904472 60.9291700 61.0236685
61.6292620 61.7099597 61.8533782 62.0790031 62.1651751
62.3411767 62.3722996 62.6607184 62.9644870 63.0808147
63.3155567 63.6859373 63.7388485 63.7626915 64.1316255
64.1600180 64.5798617 64.6931179 64.9627907 65.1228823
65.4033337 65.5368958 65.7373831 66.1406277 66.3353377
66.5100054 66.7073207 66.7111964 66.7590814 67.0234096
67.0377805 67.3639824 67.4652071 67.7704793 67.9442241
68.4239068 68.4713407 68.6654824 68.8401870 69.0608951
69.2289216 69.4820205 69.5880500 69.7440666 70.0739581
70.1962192 70.3858475 70.4489857 70.6571937 70.8230807
71.2417841 71.5329432 71.6429722 71.8762608 72.0705548
72.6128254 72.8913132 73.0679339 73.2802247 73.5705043
73.8588217 73.9632361 74.0978397 74.1984425 74.4947229
74.8597336 75.0731763 75.2484833 75.3960072 75.9762940
76.1889227 76.4215507 76.8197827 77.1350122 77.2151047
77.5181123 77.8116717 78.0428220 78.1773744 78.2921032
78.3294371 78.6256722 78.8086614 78.9945268 79.3131865
79.4136409 80.0502052 80.1887020 80.2758358 80.6795087
80.7284448 80.9848309 81.2604439 81.5760676 81.9219114
82.0578972 82.5500307 82.7173002 82.7679455 83.0865490
83.3964232 83.7001690 83.9946844 84.2965617 84.4687927
84.6487156 85.2015253 85.3271013 85.4793126 85.7626331
85.8552431 86.3814902 86.5358104 86.9398391 87.2961917
87.5356175 87.7709698 88.2661018 88.4287875 88.8676865
89.6627719 89.7904133 90.2793607 90.8029987 91.1230776
91.3490186 91.4621909 91.7427751 92.0070776 92.0175152
92.2416230 92.7696277 93.0090635 93.3933100 93.6103046
94.2125144 94.3474997 94.6319782 95.4285088 95.5555527
95.8257398 95.9367421 96.2339591 96.3461350 96.8251758
97.3002984 97.6784007 97.9151209 98.4159110 98.7639324
98.9868808 99.1112130 99.7653988 100.1384967 100.6405216
100.9705993 101.2043755 101.4526794 102.0747850 102.5499260
102.6373313 103.4145638 103.8220337 104.0742677 104.1567742
104.9929085 105.5011777 105.8817139 106.2620516 106.5281795
106.9849013 107.5153320 108.1447846 108.6059646 108.7374209
109.2788406 109.5896207 109.9364282 110.4076586 110.8521226
111.2952331 111.6124157 112.1828647 112.7282278 112.9959315
113.2808190 114.0904975 114.6760685 114.8211261 115.3607372
116.4279360 116.9406628 117.6085058 118.1318295 118.6455464
118.9396853 119.2981745 120.4059035 120.8298480 121.3435224
121.7278824 122.6298338 123.8356630 124.2870803 125.5661098
126.4917552 127.0094731 127.7906783 129.2182672 129.8398013
130.6305711 130.9027367 132.5785450 132.9084092 134.3914836
135.0546443 136.0616560 136.5263922 138.2467125 138.8322779
139.2580208 140.5968649 142.3605702 145.3922890 145.5286452
145.7669856 148.3336522 150.7481059 152.8359022 152.9554014
157.1843928 163.8980959
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034253 0.0034292 0.0034347 0.0034377 0.0034433
0.0034478 59.9430139 94.0674356 99.3092637 104.8417403
115.2025814 133.8922623 137.6963284 155.3590397 161.9108245
165.2422432 175.3326058 178.8466427 188.0169990 194.5940336
198.7365465 203.4624863 205.2828621 209.0565483 212.8981853
214.9886818 223.8843282 234.5164825 236.2493592 241.7085949
244.5225533 250.7680652 256.0753742 261.7853783 267.7961458
271.7170073 277.2912557 287.1615693 291.0292491 293.8008346
301.1803468 304.1541861 305.7849613 309.8859570 312.6682928
321.4459097 325.3324391 334.2246367 335.3733910 337.6094599
339.9281124 342.9756241 347.0791031 349.5354630 354.9733421
356.2726224 362.2291726 363.2051966 367.6628826 369.1572683
373.1418027 378.6354268 383.1951550 385.5178450 386.9604866
393.2969200 396.1647209 400.0811916 403.2632055 408.6466835
410.6857732 415.2194406 418.6651585 418.9012520 421.5988527
423.1361021 425.6413981 427.6936567 433.1060831 435.0052185
438.3126023 439.4262216 443.5144842 444.8822825 446.8557048
453.9563469 455.3135210 456.2084943 461.7560621 462.6224719
466.7845038 470.8427565 471.9797628 477.3256199 481.1296488
483.9228268 484.6219741 488.2814216 489.2107726 492.5677473
494.5239849 495.4221620 501.6195738 504.3686851 505.4890520
509.3773669 511.9741252 512.9108828 516.3629719 519.5318567
521.4990859 522.5803032 526.6326913 529.1201837 532.3700451
532.7317672 534.8315045 537.6715830 543.6120170 545.4261469
549.0500540 549.4441388 550.7993983 551.5145171 553.6404329
555.7549464 558.9545292 560.8859658 562.2755396 562.8737102
566.8277545 569.1268499 571.2734254 571.9624068 574.3253548
575.3564994 576.4639342 578.2004618 579.2568402 580.9712575
581.6657189 582.9592614 583.7608989 586.1285734 587.6027179
590.5742168 591.5677896 593.3591235 594.7011054 596.6011230
600.0646625 600.6613890 603.9416056 605.8251598 606.5249107
608.7989043 611.7863514 613.2624877 614.9230170 615.5758887
616.8055217 619.1956145 619.3173793 623.4666111 625.6129899
628.7184984 630.5881279 633.1742121 634.7454171 635.6249191
637.4733405 639.4061495 641.1697263 642.0707847 642.7497853
645.2316270 646.3877536 648.3966195 650.8911406 652.8338490
653.3646661 655.9329611 657.6181122 658.1726877 659.0884654
661.2901995 663.2101629 666.4410008 667.2628314 668.4862298
672.1857209 672.8370397 675.1391580 676.2815094 677.1067310
678.1064533 680.3408744 680.8657683 684.1797895 686.9014071
688.4653226 688.9108013 691.1308663 692.0232499 693.4610998
694.6841908 695.0949452 697.0026775 697.8423473 699.4310315
701.3731221 702.8876951 704.4602322 706.0043917 708.3737815
709.1038864 709.5118994 711.6808839 712.5628856 713.8987328
716.0433082 716.4134388 717.5020235 717.5509278 719.8581962
721.2022509 721.4087986 722.7103650 724.8112840 725.9367637
726.6618657 729.1801205 731.6461324 733.1086365 733.8287371
734.3503501 735.9587433 736.2272674 738.6372293 739.7552109
740.8504174 741.8152881 743.7749527 744.7156366 745.5742089
747.1493067 748.9252437 750.4921201 751.2022260 753.2092735
755.7754376 757.0750808 758.0782565 759.4327156 761.4918809
761.8925610 762.8271267 763.6357142 765.1889922 766.7529835
769.1851201 771.1348435 771.6613766 772.7607266 773.9532372
776.1022621 777.6275516 779.5339499 780.5618396 781.6035687
783.4156410 784.3764773 786.8362050 787.5864629 789.5394246
790.4088150 791.6557132 792.4840175 793.4947307 795.7465893
795.9915628 796.8086047 798.7338154 799.5852349 801.3396087
802.0957530 802.9314352 805.4857595 806.4703981 808.1349625
809.8371598 810.8999574 813.1425398 814.5211842 816.8116319
817.4797560 819.2563097 819.8230348 820.5124351 821.6494589
823.5384049 824.4458405 825.8185609 827.1071413 829.8641717
831.5465136 832.3498691 832.8883383 833.9754595 834.9401771
837.5650766 837.9553523 840.2703197 842.1846767 842.7639059
844.0524484 845.3539929 846.6676174 847.6331074 848.2901738
852.4889606 853.0469052 854.0376018 855.5938367 856.1874564
857.3986154 857.6126108 859.5931880 861.6742502 862.4698597
864.0731204 866.5967439 866.9566595 867.1187972 869.6237740
869.8162536 872.6575199 873.4223919 875.2409256 876.3187162
878.2036198 879.0998658 880.4434891 883.1397573 884.4387301
885.6023733 886.9150594 886.9408240 887.2590880 889.0138744
889.1091789 891.2697305 891.9391135 893.9547967 895.0999896
898.2541123 898.5654088 899.8383905 900.9823864 902.4255475
903.5226900 905.1728096 905.8631931 906.8780979 909.0203477
909.8130064 911.0410633 911.4495873 912.7954624 913.8663522
916.5637432 918.4347927 919.1408704 920.6361378 921.8796173
925.3413043 927.1140602 928.2366115 929.5840782 931.4234051
933.2467101 933.9061442 934.7555523 935.3898970 937.2555803
939.5489661 940.8874499 941.9853652 942.9082896 946.5298902
947.8534534 949.2993928 951.7695745 953.7203655 954.2153807
956.0858141 957.8944414 959.3161652 960.1427802 960.8470483
961.0761126 962.8917504 964.0115910 965.1477028 967.0924202
967.7046638 971.5753884 972.4154986 972.9436731 975.3868644
975.6826299 977.2307407 978.8922170 980.7914321 982.8682784
983.6836934 986.6290531 987.6281406 987.9304415 989.8300647
991.6741499 993.4784422 995.2247817 997.0115988 998.0296041
999.0919660 1002.3490087 1003.0874027 1003.9816860 1005.6441544
1006.1869756 1009.2659611 1010.1670834 1012.5225316 1014.5954941
1015.9858982 1017.3507950 1020.2162901 1021.1560515 1023.6870693
1028.2562566 1028.9878946 1031.7857317 1034.7736848 1036.5958597
1037.8801912 1038.5229073 1040.1146580 1041.6118173 1041.6708981
1042.9386165 1045.9193247 1047.2681989 1049.4292486 1050.6476889
1054.0217618 1054.7765795 1056.3655741 1060.8020465 1061.5079344
1063.0076027 1063.6231059 1065.2694117 1065.8901010 1068.5366616
1071.1551161 1073.2343155 1074.5340019 1077.2783667 1079.1814388
1080.3988171 1081.0771200 1084.6390888 1086.6653372 1089.3858246
1091.1708290 1092.4332873 1093.7726033 1097.1209726 1099.6714653
1100.1400012 1104.2976105 1106.4710265 1107.8142882 1108.2533195
1112.6927637 1115.3827767 1117.3925243 1119.3976184 1120.7984787
1123.1985276 1125.9794914 1129.2707264 1131.6760345 1132.3607158
1135.1763108 1136.7893394 1138.5866613 1141.0242651 1143.3186479
1145.6014692 1147.2327444 1150.1607506 1152.9530433 1154.3212314
1155.7754634 1159.8985813 1162.8713689 1163.6066141 1166.3376406
1171.7200990 1174.2972821 1177.6456886 1180.2628710 1182.8263770
1184.2916654 1186.0750745 1191.5689306 1193.6648212 1196.1993967
1198.0924016 1202.5228851 1208.4206753 1210.6211955 1216.8344595
1221.3113405 1223.8081398 1227.5660474 1234.4037623 1237.3689145
1241.1311997 1242.4234602 1250.3508811 1251.9053929 1258.8707839
1261.9729381 1266.6690425 1268.8304344 1276.7994492 1279.5006327
1281.4609885 1287.6063167 1295.6572803 1309.3807967 1309.9946541
1311.0669411 1322.5592131 1333.2795327 1342.4804584 1343.0051850
1361.4446547 1390.2158460
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240414231133203012.eigenfacs
Openam> file on opening on unit 10:
240414231133203012.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240414231133203012.atom
Openam> file on opening on unit 11:
240414231133203012.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 = 184
First residue number = 97
Last residue number = 1292
Number of atoms found = 184
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9498E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9720E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0022E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0054E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0081E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7504
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8364
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9321
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.125
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.520
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.223
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.316
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.607
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.713
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.998
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.211
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.349
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.706
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.844
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.920
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.251
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.664
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.733
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.333
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.561
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.812
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.261
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.521
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.993
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.183
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.320
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.845
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.929
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.290
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.762
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.976
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.473
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.538
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.666
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.799
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.976
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 19.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 22.00
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 552 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.304700
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.595 for 183 C-alpha atoms.
Bfactors> = 1.769 +/- 2.92
Bfactors> = 27.127 +/- 13.78
Bfactors> Shiftng-fct= 25.358
Bfactors> Scaling-fct= 4.720
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240414231133203012 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=0
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=100
240414231133203012.eigenfacs
240414231133203012.atom
making animated gifs
11 models are in 240414231133203012.7.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 240414231133203012.7.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 240414231133203012.7.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 240414231133203012 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=0
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=100
240414231133203012.eigenfacs
240414231133203012.atom
making animated gifs
11 models are in 240414231133203012.8.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 240414231133203012.8.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 240414231133203012.8.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 240414231133203012 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=0
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=100
240414231133203012.eigenfacs
240414231133203012.atom
making animated gifs
11 models are in 240414231133203012.9.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 240414231133203012.9.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 240414231133203012.9.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 240414231133203012 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=0
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=100
240414231133203012.eigenfacs
240414231133203012.atom
making animated gifs
11 models are in 240414231133203012.10.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 240414231133203012.10.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 240414231133203012.10.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 240414231133203012 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=0
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=100
240414231133203012.eigenfacs
240414231133203012.atom
making animated gifs
11 models are in 240414231133203012.11.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 240414231133203012.11.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 240414231133203012.11.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 240414231133203012 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=0
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=100
240414231133203012.eigenfacs
240414231133203012.atom
making animated gifs
11 models are in 240414231133203012.12.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 240414231133203012.12.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 240414231133203012.12.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 240414231133203012 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=0
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=100
240414231133203012.eigenfacs
240414231133203012.atom
making animated gifs
11 models are in 240414231133203012.13.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 240414231133203012.13.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 240414231133203012.13.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 240414231133203012 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=0
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=100
240414231133203012.eigenfacs
240414231133203012.atom
making animated gifs
11 models are in 240414231133203012.14.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 240414231133203012.14.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 240414231133203012.14.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 240414231133203012 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=0
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=100
240414231133203012.eigenfacs
240414231133203012.atom
making animated gifs
11 models are in 240414231133203012.15.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 240414231133203012.15.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 240414231133203012.15.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 240414231133203012 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=-20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=0
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=20
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=40
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=60
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=80
240414231133203012.eigenfacs
240414231133203012.atom
calculating perturbed structure for DQ=100
240414231133203012.eigenfacs
240414231133203012.atom
making animated gifs
11 models are in 240414231133203012.16.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 240414231133203012.16.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 240414231133203012.16.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
240414231133203012.10.pdb
240414231133203012.11.pdb
240414231133203012.12.pdb
240414231133203012.13.pdb
240414231133203012.14.pdb
240414231133203012.15.pdb
240414231133203012.16.pdb
240414231133203012.7.pdb
240414231133203012.8.pdb
240414231133203012.9.pdb
STDERR:
real 0m2.440s
user 0m2.432s
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: 240414231133203012.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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
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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
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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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