[gmx-developers] dispersion correction / exploding box

Berk Hess hessb at mpip-mainz.mpg.de
Tue Aug 23 09:21:37 CEST 2005

Rainer Böckmann wrote:

> Hi Berk,
> yes, for certain box/system sizes I get a positive dispersion energy 
> resulting in drastically increasing box sizes.
But that seems impossible, unless you have positive c6 parameters.
Could you run with the -debug option and check what the average c6 
parameter is?


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