[gmx-users] Question PME+charged groups

David van der Spoel spoel at xray.bmc.uu.se
Wed May 15 19:12:45 CEST 2002

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

>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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