[AMBER] MM-PBSA with explicit water

From: mathew k varghese <mathew_kvarghese.yahoo.co.in>
Date: Fri, 15 May 2009 07:45:23 +0100

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 - 16:35:16 PDT
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