[gmx-users] PME
David van der Spoel
spoel at xray.bmc.uu.se
Wed Jun 11 10:28:01 CEST 2003
On Wed, 2003-06-11 at 09:51, Yuguang Mu wrote:
> When PME is used , what is the meaning of Coulomb (SR),Coulomb (LR)
>
> Is it that :
> Coulomb (SR) = E dir
> Coulomb (LR) = Erec + Eself
Yes.
>
>
> Dr. Yuguang Mu
> Institute for Physical and Theoretical Chemistry
> J.W. Goethe University Frankfurt am Main
> Marie Curie Str. 11
> 60439 Frankfurt/Main, Germany
> Tel: +49-(0)69-798-29711
>
>
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--
David van der Spoel <spoel at xray.bmc.uu.se>
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