specify acceptance ratio in REMD

From: Neelanjana Sengupta (senguptan_at_gmail.com)
Date: Thu Mar 17 2011 - 01:47:32 CDT

Dear NAMD experts,

We are performing a replica exchange MD simulation (REMD) with the NAMD
package, as per the instructions given in the NAMD manual and the given
example of folding of decaalanine. The options shown in the example,
however, do not include specifying an *acceptance ratio *for the simulations
(present in some other simulation packages, such as GROMACS). I was
wondering if there is a way to specify the acceptance ratio.

Thanks in advance,
Neelanjana Sengupta

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:56:46 CST