Re: Running bias exchange metadynamics simulations with NAMD

From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Fri Jan 14 2011 - 10:37:17 CST

On 14 January 2011 16:31, Ajasja Ljubetič <ajasja.ljubetic_at_gmail.com> wrote:
> Dear Giacomo,
> Thank you for a great explanation!
> Could I ask another question:
> What is the difference between metadynamics and ABF? Or more specifically,
> what are the advantages/disadvantages of each method?

Indeed, there are similarities between the two methods. One of the
goals of this paper:
http://pubs.acs.org/doi/abs/10.1021/ct9004432
was to answer your question.

Cheers,
Jerome

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