AMBER Archive (2002)
Subject: Re: Density during equilibration (sander)

From: Pratul Agarwal (pratulka_at_rocketmail.com)
Date: Tue Sep 17 2002 - 19:22:22 CDT

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> I would guess that you probably need to run more than 30 ps of
> equilibration.
> Have you tried longer runs?
>
> ..dac

I tried 50 ps, without any luck. Here is a density vs. time plot.
http://linus.ornl.gov/MD/equil.jpg

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Next message: Marc Dobler: "Re: Density during equilibration (sander)"
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