From: Myunggi Yi (myunggi_at_gmail.com)
Date: Wed Feb 03 2010 - 09:33:08 CST
Dear NAMD users,
I am so confused by the manual about the update of the pair list of
If the followings are the simulation parameters, what is the update
frequency of the pair list of non-bonded interactions?
pairlistdist 13.5 # *Description:* A pair list is
generated pairlistsPerCycle times each cycle
stepspercycle 20 *# Description: * Number of timesteps in
each cycle. Each cycle represents the number of timesteps between atom
pairlistspercycle 2 # *Description: * Rather than only
regenerating the pairlist at the beginning of a cycle, regenerate multiple
times in order to better balance the costs of atom migration, pairlist
generation, and larger pairlists.
-- Best wishes, Myunggi Yi ================================== 91 Chieftan Way Institute of Molecular Biophysics Florida State University Tallahassee, FL 32306 Office: +1-850-645-1334 http://sites.google.com/site/myunggi/ http://people.sc.fsu.edu/~myunggi/
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:53:44 CST