[gmx-users] Lennard Jones spheres

Mark Abraham Mark.Abraham at anu.edu.au
Tue Feb 19 14:06:37 CET 2008

Chiara Parravicini wrote:
> Hi Mark,
> I just want make use of the volumes of the spheres to enlarge the pocket 
> without the use of any ligands.

How about using a ligand with charges set to zero? Or that and 
tinkered-LJ parameters?


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