Re: Running bias exchange metadynamics simulations with NAMD

From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Sat Jan 01 2011 - 15:48:06 CST

Dear Ajasja,

2010/12/30 Ajasja Ljubetič <ajasja.ljubetic_at_gmail.com>:
> 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.

Best,
Jerome

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:56:30 CST