[AMBER] Replacing water with oxygen molecules

From: Shukla, Saurabh <sshukla4.illinois.edu>
Date: Mon, 2 Mar 2015 18:19:51 +0000

Dear All,
I want to replace around 200 water molecules around my protein by oxygen molecules. I have created .lib and .frcmod files for the oxygen molecule.

I canít find the method of replacement. My pdb does not have oxygen molecules. I am introducing them. Please suggest the commands/way to do it.


Saurabh Shukla,
Graduate Research Assistant,
Department of Chemical and Biomolecular Engineering,
University of Illinois at Urbana Champaign, IL

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Received on Mon Mar 02 2015 - 10:30:03 PST
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