Running bias exchange metadynamics simulations with NAMD

From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Thu Dec 30 2010 - 16:13:13 CST

Dear all,

The bias exchange
metadynamics<http://people.sissa.it/~laio/Research/Res_BE.php> 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?).

Best regards,
Ajasja Ljubetic
Young researcher,
Department of solid state physics (F5),
Institute Joef tefan,
Ljubljana, Slovenia

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