[gmx-users] (no subject)

David van der Spoel spoel at xray.bmc.uu.se
Thu May 16 21:06:38 CEST 2002

On Thu, 16 May 2002 ehab at biof.ufrj.br wrote:

>Sorry, but my question is: should I use charge groups with PME calculations?
It is not strictly necessary, but it is beneficial for neighboursearching.
NS uses charge groups to speed up the search.

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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