[gmx-users] Question PME+charged groups

[David van der Spoel]

On Wed, 15 May 2002 ehab at biof.ufrj.br wrote:

>Hi,
>Sorry if this question sounds trivial, but there is any sense in using charged
>groups with PME calculations?
Yes, that's when you need it most. Preferably your system should be
overall neutral

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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