AMBER Archive (2009)

Subject: [AMBER] (no subject)

From: Beale, John (
Date: Tue Feb 17 2009 - 07:02:25 CST

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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