[gmx-users] long-range dispersion correction?

[Yuguang Mu]

Dear David,
SO it is better to use  or not ?

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

On 10 Sep 2003, David van der Spoel wrote:

> On Wed, 2003-09-10 at 13:01, Yuguang Mu wrote:
> > Dear All,
> > What effects of long-range dispersion correction ?
> >
> An almost constant energy term, and a contribution to the pressure which
> is not negligable (e.g. for 0.9 nm cut-off it is roughly 200 bar)
> >
> > 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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> --
> Groeten, David.
> ________________________________________________________________________
> Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
> Husargatan 3, Box 596,  	75124 Uppsala, Sweden
> phone:	46 18 471 4205		fax: 46 18 511 755
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