Re: [AMBER] rmsd plot error

From: zoran matovic <>
Date: Fri, 8 Jul 2016 13:17:00 +0200

What kind of MD (heating, equil., production)? What kind of molecule is the
"complex"? What was the reference structure you have used for RMSD? What's
up to me you have nice equilibrium after 5 ns.


Dear all,
I have performed 5ns md simulation using amber14. Rmsd plot of one my
simulated complex shows unusua 20 angstrom fluctuation at starting ns. I am
unable to understand the reason. Rmsd plot is attached below. Kindly help
me. Best Regards, Sarah

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Received on Fri Jul 08 2016 - 04:30:02 PDT
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