[AMBER] (no subject)

From: Beale, John <jbeale.stlcop.edu>
Date: Tue, 17 Feb 2009 07:02:25 -0600

I am doing MD on a protein in explicit water. I would like to determine
if, during the simulation, there are single water molecules bridging
amino acid functional groups. How can I strip off the bulk water and
leave the water molecules directly associated with the protein in place?

 

John Beale

 

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Received on Wed Feb 18 2009 - 01:18:53 PST
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