[gmx-users] about top and mdp

David spoel at xray.bmc.uu.se
Thu Nov 28 09:14:24 CET 2002


On Thu, 2002-11-28 at 02:36, nanyu101 wrote:
> Hi,all gmx-users,
>   There are some puzzles when I run grompp.
Have you run the tutorial? Most questions you ask are answered in there.

As regards the hole in the bilayer, there have been several approaches
discussed on the mailing list. It is not trivial. Check the mailing list
archives.

-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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