[gmx-developers] dispersion correction / exploding box

Berk Hess hessb at mpip-mainz.mpg.de
Tue Aug 23 10:08:18 CEST 2005

Rainer Böckmann wrote:

> ...the simulations differ only in the number of water molecules / the 
> box size. The protein topology works fine... A smaller box with 
> d=1.2nm using the same topology yields a negative dispersion energy 
> and constant volume.

Could you give me access to the 1.2nm and the bigger tpr files?


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