AMBER: surfen and surfoff

From: Giulio Rastelli <>
Date: Mon, 14 Mar 2005 17:21:22 +0100

in running mm_pbsa on a protein-ligand complex, which values of surften
and surfoff are appropriate? surfoff for example is zero in the example
I am using amber8 to calculate binding energy using both PB (solvat. not
delphi but with pbsa module of amber8) and GB (using igb=5 model).
Thank you very much in advance.
Giulio Rastelli
Dipartimento di Scienze Farmaceutiche
Universita di Modena e Reggio Emilia
Via Campi 183
41100 Modena - ITALY
tel 0039-059-2055145
fax 0039-059-2055131
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Received on Mon Mar 14 2005 - 10:53:01 PST
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