[AMBER] MM-PBSA: different dielectric constants for ligand and receptor?

From: Antonija Tomić <Antonija.Tomic.irb.hr>
Date: Mon, 05 Mar 2012 11:07:38 +0100

Dear Amber Users,

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.

All best,
Antonija 


-- 
Antonija Tomić
LKBK
Institut Ruđer Bošković
10 000 Zagreb
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Received on Mon Mar 05 2012 - 02:30:02 PST
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