On Mon, Mar 05, 2012, Antonija Tomić wrote:
>
> is there a way to do MM-PBSA calculations using different dielectric
> constants for ligand and receptor molecule (for example: 2 for
> receptor molecule, 20 for ligand and 80 for implicit solvent)?
> I've searched on Amber archive but I couldn't find the answer.
The MEAD program (from Don Bashford) supports this 3-dielectric model. It's
the only program that I know of that does this, but I could well be missing
something (even for Amber).
...dac
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Received on Mon Mar 05 2012 - 05:30:03 PST
