[gmx-developers] dispersion correction / exploding box
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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