Re: [AMBER] vacuum bubbles generated after heating

From: Bill Ross <>
Date: Mon, 12 Apr 2010 13:49:47 -0700 (PDT)

> NPT is the only way to get rid of vacuum bubbles.

On second thought, an alternative is to create a starting solvated
structure with waters packed in tighter around the solute. Not sure
if many do this. It involves equilibrating with more initial strain.


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Received on Mon Apr 12 2010 - 14:00:04 PDT
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