From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Oct 03 2014 - 22:17:05 CDT
On Fri, Oct 3, 2014 at 10:50 PM, ukulililixl <ukulililixl_at_gmail.com> wrote:
> each time we run the same sample we will have different results,is there any
> way to test whether the result is acceptable?
please update your understanding of MD and particularly statistical mechanics.
MD is chaotic (like any system of coupled partial differential
equations) and thus trajectories will diverge exponentially, yet they
will sample the same phase space and converged ensemble averages will
be the same.
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 College of Science & Technology, Temple University, Philadelphia PA, USA International Centre for Theoretical Physics, Trieste. Italy.
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