Re: How to get the acceptance ratio in REMD

From: Axel Kohlmeyer (
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?


> Sincerely,
> Rubisco

Axel Kohlmeyer
   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.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:52:28 CST