Re: Regarding biasTemperature used in Well-tempered metadynamics

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Tue Oct 06 2015 - 09:01:52 CDT

Hello Vijay, the first suggestion would be to read the Barducci et al
paper, which is cited in the documentation.

Regards
Giacomo

On Tue, Oct 6, 2015 at 2:49 AM, Vijay L. Roy <vijay.laxmi.roy18_at_gmail.com>
wrote:

> Hi
> I am using pseudo-dihedral for free energy calculation. I am unable to
> find out what value of biasTemperature is appropriate. I looked up various
> resources and discussions, only thing i noticed is a high positive value.
> Please suggest me on what criteria bias-temperature is set.
>
> Thank you!
>
> ​Regards​
>
> Vijay L. Roy
>

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Giacomo Fiorin
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