AMBER: surfen and surfoff

From: Giulio Rastelli <rastelli.giulio.unimo.it>
Date: Mon, 14 Mar 2005 17:21:22 +0100

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
-------------------------------------
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Mon Mar 14 2005 - 10:53:01 PST
Custom Search