AMBER Archive (2005)

Subject: AMBER: surfen and surfoff

From: Giulio Rastelli (rastelli.giulio_at_unimo.it)
Date: Mon Mar 14 2005 - 10:21:22 CST

Hi,
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
files.
I am using amber8 to calculate binding energy using both PB (solvat. not
with
delphi but with pbsa module of amber8) and GB (using igb=5 model).
Thank you very much in advance.
Best,
Giulio 

-- 

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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