[gmx-users] Different force constants for different umbrella windows?

Justin Lemkul jalemkul at vt.edu
Wed Apr 1 02:30:47 CEST 2020



On 3/31/20 2:07 AM, Andreas Mecklenfeld wrote:
> Dear GROMACS users,
>
> I've a question regarding umbrella sampling and its evaluation with 
> gmx wham. Is it possible to use different force constants for 
> different umbrella windows?
>

Yes.

-Justin

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Justin A. Lemkul, Ph.D.
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