Re: [AMBER] Ligand movement in protein cavatiy

From: Jason Swails <>
Date: Wed, 04 Jun 2014 08:55:59 -0400

On Wed, 2014-06-04 at 14:14 +0200, Jurgens de Bruin wrote:
> Hi,
> I am working on the Tutorial as suggested, I have a question about the
> Density Graph as my graph is not reaching a plateau, should I increase the
> cycles?

If your density has not plateaued, then that indicates that you need to
run your constant pressure dynamics longer.


Jason M. Swails
Rutgers University
Postdoctoral Researcher
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Received on Wed Jun 04 2014 - 06:00:06 PDT
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