[gmx-users] vmd does not display the molecule
leila karami
karami.leila1 at gmail.com
Wed Nov 18 13:31:54 CET 2009
dear justin
I checked the VMD mailing list but that does not help me.
first few lines of my gro file :
Protein in water
23136
1GLY N 1 1.655 4.898 3.866 -0.3222 -0.2420 0.1437
1GLY CA 2 1.677 4.774 3.793 0.0134 -0.2201 0.2050
1GLY HA1 3 1.579 4.735 3.767 0.5541 -1.5676 0.1443
1GLY HA2 4 1.732 4.708 3.859 1.2946 2.0442 1.5391
1GLY C 5 1.760 4.809 3.671 0.1350 -0.3085 0.2633
1GLY O 6 1.732 4.904 3.598 0.1431 -0.4147 0.1209
2SER N 7 1.867 4.733 3.644 0.3115 -0.0506 0.2274
2SER H 8 1.898 4.660 3.706 -1.4080 -0.0311 1.1663
2SER CA 9 1.924 4.738 3.511 -0.9271 0.2649 -0.3082
2SER HA 10 1.845 4.759 3.439 -0.6670 -0.9431 -0.9674
last few lines of my gro file :
7208Na Na23127 1.251 2.111 2.829 0.0512 -0.5390 0.2230
7209Na Na23128 0.220 2.894 0.285 -0.0656 0.2288 -0.0477
7210Na Na23129 2.803 0.503 5.080 0.0192 -0.1246 0.0370
7211Na Na23130 3.718 2.036 1.304 -0.4850 -0.3162 0.4396
7212Na Na23131 2.322 3.787 2.485 0.2661 0.1734 0.5773
7213Na Na23132 3.592 5.392 5.571 0.4515 0.6877 -0.3284
7214Na Na23133 4.708 2.478 0.651 -0.1105 0.1018 -0.4275
7215Na Na23134 4.612 4.964 0.340 0.2845 -0.3202 0.0326
7216Na Na23135 5.438 6.245 5.071 -0.0165 0.1414 -0.2011
7217Na Na23136 5.855 1.272 5.027 -0.3189 0.4687 -0.1455
6.21600 6.27700 6.26300
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20091118/22f81859/attachment.html>
More information about the gromacs.org_gmx-users
mailing list