From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Thu Mar 12 2009 - 08:22:38 CDT
On Mon, 2009-03-09 at 17:59 -0400, Yunlang Li wrote:
> Hello everyone,
> I'm using NAMD to run Replica Exchange MD. Now I can get the
> distribution graph, but still I can't understand what the acceptance
> ratio is. It's not even a statistical or mathematical word anyway...
it is a well defined entity in monte carlo simulations.
please check out a text book on that issue, e.g. frenkel/smit
'understanding molecular simulations'.
acceptance ratio is the probability to that two adjacent simulation
temperatures are swapped.
> Could anyone tell me what it stands for, or where I can search for a
> method, please? Thanks in advance!
well, have you tried searching the literature for references on REMD?
cheers,
axel.
> Sincerely,
> Rubisco
> NYU
-- ======================================================================= Axel Kohlmeyer akohlmey_at_cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
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