[AMBER] how to creat an mixture sovlent of hexane and water

From: TaoPaul <paultao2008.hotmail.com>
Date: Sun, 28 Jun 2009 16:58:19 +0100


Dear all
 
 
I want to run a MD of enzyme in a mixture of hexane and water (20%, v/v), but
I don't know how to set up the mixture of hexane and water. I notice in user guide
there is a 8M urea-water mixture in solvent models, so it looks possible to do
such thing. Could anybody give a help?

 
 
 
Paul Tao


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Received on Mon Jul 06 2009 - 12:08:31 PDT
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