[gmx-users] about PME

Alan Wilter Sousa da Silva alan at biof.ufrj.br
Fri Jan 17 17:42:49 CET 2003

Thank you Dr. der Spoel.

I checked darden93 and I wasn't able to find a clear answer like you gave

On 17 Jan 2003, David van der Spoel wrote:

> > 	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...


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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