From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Oct 02 2009 - 13:09:12 CDT
On Thu, 2009-10-01 at 23:15 -0700, BIN ZHANG wrote:
> Dear All:
> Is it possible to change the atom type of a particle on the fly
> without stopping the simulation? Say, after one ns simulation, I want
> to change the parameter for a particular particle (alternating the
> parameter for LJ balls).
> Any suggestions is appreciated.
if you run for one nanosecond, the time for startup
should be negligible compared to runtime. so why bother?
just prepare the necessary topology/parameter files
ahead of time and you should be fine and run them
one after the other.
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com Institute for Computational Molecular Science College of Science and Technology Temple University, Philadelphia PA, USA.
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:51:32 CST