AMBER Archive (2009)
Subject: [AMBER] Solvating inside of a channel
From: Daniel Smith (das92amber_at_gmail.com)
Date: Mon Feb 09 2009 - 15:03:16 CST
I am currently running Amber 9 but also have access to Amber 10 if need be.
I have a channel protein that I am trying to simulate in vacuo. However, I
would like to solvate the interior of the channel. How might I go about
doing this other than placing the waters in there individually? I have tried
solvating the protein, but that gives me thousands of unnecessary waters.
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