Re: colvars: Questions about the metadynamics hillWIdth option.

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Wed Mar 21 2018 - 08:55:11 CDT

Hi Haochuan, the sigma values of each variable are printed on the standard
output since 2016-06-29.

Giacomo

On Wed, Mar 21, 2018 at 3:39 AM, yjcoshc <yjcoshc_at_gmail.com> wrote:

> Hello,
>
> Does hillWIdth directly indicate the sigma value in metadynamics gaussian
> hills? In the manual 2*sigma=hillWIdth*(width of colvars), but I still
> can't figure out what is the relative width of a Gausssian hill. Is this
> the Full width at half maximum of a gaussian hill? Is the sigma value
> written to the hills.traj file?
>
> Thanks,
>
> Haochuan Chen
>
>

-- 
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD
http://goo.gl/Q3TBQU
https://github.com/giacomofiorin

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