Re: [AMBER] swiss cheese water shell

From: Bill Ross <>
Date: Mon, 1 Mar 2010 09:26:30 -0800 (PST)

> After 500 ps the edges of the solvent cube have developed
> a couple big empty spaces, and the cube looks like a block of swiss cheese.

Sounds like you didn't equilibrate volume with constant pressure.


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Received on Mon Mar 01 2010 - 09:30:06 PST
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