[gmx-users] (no subject)

[David van der Spoel]

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

>
>Hello,
>
>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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++