[gmx-users] How to calculate PN vector head group angle...

David van der Spoel spoel at xray.bmc.uu.se
Sun Dec 20 20:00:36 CET 2009

Henry Yang wrote:
> Hello gromacs experts,
> I want to calculate the PN vector angular distribution along the bilayer 
> axis. I am currently using gromacs 4.0.5 version. Is there any tools in 
> gromacs which one I can use to calculate this properties? If not, anyone 
> pls tell me how can I proceed? I am actually quiet new. So I think I 
> need some basic knowledge.. 
> Thanks in advance
> /Henry 
> Biochemistry
Check out the list of tools on the website. You could consider g_order 
or others. Be sure to make separate groups for both sides of the bilayer.

David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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