Re: Multiple-replicas metadynamics / Well-tempered metadynamics

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Fri Jun 12 2015 - 14:21:15 CDT

Hello Yerko, yes, the well-temperature correction will work with multiple
replicas.

Giacomo

On Fri, Jun 12, 2015 at 3:15 PM, Yerko Escalona <yescalona_at_ug.uchile.cl>
wrote:

> Dear NAMD users
>
> Is compatible the use of Multiple-replicas metadynamics and Well-tempered
> metadynamics options in the colvar configuration file in NAMD (v2.9 or
> v2.10)?
> From Barducci et al 2008 there is a sentence about well-Tempered
> Metadynamics: "The proposed approach can easily be applied to
> generalizations of metadynamics based on multiple replicas ..." but I am
> not sure if this idea is implemented yet.
>
> Thank you
> Best Regards
> --
> Yerko Escalona
>
>

-- 
Giacomo Fiorin
Assistant Professor of Research
Institute for Computational Molecular Science (ICMS)
College of Science and Technology, Temple University
1925 North 12th Street (035-07), Room 704D
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Phone: +1-215-204-4213
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