/\/\athew
Mathew K Varghese
Research Scholar
School of Pure and Applied Physics
M.G.University
Kottayam, Kerala
India
email mathew_kvarghese.yahoo.co.in
===========================================================================
--- On Fri, 15/5/09, mathew k varghese <mathew_kvarghese.yahoo.co.in> wrote:
From: mathew k varghese <mathew_kvarghese.yahoo.co.in>
Subject: MM-PBSA with explicit water
To: "amber mail list amber" <amber.scripps.edu>
Date: Friday, 15 May, 2009, 12:12 PM
Hello,
I want to do some MM-PBSA calculations of some nucleic acid ligand systems. How can I keep some water molecules near the binding site in the calculations. Should I treat the water as part of ligand?
Thanks in advance
/\/\athew
Mathew K Varghese
Research Scholar
School of Pure and Applied Physics
M.G.University
Kottayam, Kerala
India
email mathew_kvarghese.yahoo.co.in
===========================================================================
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Received on Wed May 20 2009 - 16:35:33 PDT
