Re: [AMBER] Minimization and Heating error

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Wed, 7 Dec 2011 15:19:53 -0800

> My simulation run has good enengetics for a high solute concentration about
> (by wt%) and also goes through ,whereas when I use this fo a 50wt% of
> solute concentration I get severe temperature
> rise

What leap solvatebox cutoff did you use, and what cutoff in mdin?


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Received on Wed Dec 07 2011 - 15:30:05 PST
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