Re: [AMBER] Using nrespa with NPT

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Sat, 26 Nov 2011 14:46:45 -0800

> cut = 20.0,

The normal procedure is to set cut < the clearance of the water box,
to avoid having waters 'see' solute atoms in more than one direction
at a time.

Bill

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Received on Sat Nov 26 2011 - 15:00:04 PST
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