[gmx-users] Force constant in g_wham

[Jochen Hub]

Hi,

the umbrella potential is 0.5*k*(z-z0)^2

Jochen


Am 6/14/12 11:41 PM, schrieb rainy908:
> Dear gmx-users,
>
> I am writing to clarify that the force constant kappa for g_wham corresponds to K_i itself, and not the quantity (1/2)*K_i in the umbrella potential W_i(ξ) = (K_i/2)*(ξ-ξ_i)^2.
>
> I recall reading somewhere that the force constant sometimes includes the (1/2) term in front of K_i, and sometimes not.
>
> Thank you,
> Lili
>

-- 
---------------------------------------------------
Dr. Jochen Hub
Computational Molecular Biophysics Group
Institute for Microbiology and Genetics
Georg-August-University of Göttingen
Justus-von-Liebig-Weg 11, 37077 Göttingen, Germany.
Phone: +49-551-39-14189
http://cmb.bio.uni-goettingen.de/
---------------------------------------------------