[gmx-users] about PME

[David van der Spoel]

On Fri, 2003-01-17 at 15:57, Alan Wilter Sousa da Silva wrote:
> 
> Hi List!
> 
> 	I'm just trying to wonder how PME works.  The procedure of
> assigning charges to the interpolated grid is done at every step of MD,
> isn't it?
> 
yes.

it is described in the essman95 and darden93 papers. It's quite complex
math...

> TIA,
> 
> Cheers,
> 
> -----------------------
> Alan Wilter S. da Silva
> -----------------------
>  Laboratório de Física Biológica
>   Instituto de Biofísica Carlos Chagas Filho
>    Universidade do Brasil/UFRJ
>     Rio de Janeiro, Brasil
> 
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-- 
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://xray.bmc.uu.se/~spoel
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