Re: Regarding biasTemperature used in Well-tempered metadynamics

From: Giacomo Fiorin (
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.


On Tue, Oct 6, 2015 at 2:49 AM, Vijay L. Roy <>

> 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

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
Philadelphia, PA 19122-1801
Phone: +1-215-204-4213

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