Re: [AMBER] Solid surface simulation in Amber

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Tue, 3 Aug 2010 16:08:20 -0700

PS -

> Also the target pressure was not achieved (30 atm. instead desired 20)

I hadn't noticed this; it probably explains why the box expanded
instead of the shrinkage we normally see after water placement.

You might want to run at 1 atm to see what happens.

Bill

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Received on Tue Aug 03 2010 - 16:30:05 PDT
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