Re: Running bias exchange metadynamics simulations with NAMD

From: Jérôme Hénin (
Date: Sat Jan 01 2011 - 15:48:06 CST

Dear Ajasja,

2010/12/30 Ajasja Ljubetič <>:
> Dear all,
> The bias exchange metadynamics is very reminiscent of the replica exchange
> method. Since the latter is implemented as a set of TCL scripts, would it
> be feasible to implement bias exchange in the same way? (ie Does one have to
> restart NAMD in order to change the colvar biases?).

At this point, yes, you would have to restart NAMD.


This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:19:41 CST