[gmx-users] umbrella sampling

[Justin A. Lemkul]

Qian Wang wrote:
> Hi,
>  
> I used umbrella sampling method to restrain the distance of two 
> molecules at several distances. Then I can use g_wham to get the free 
> energy as a function of the distance. Is there any way that I can get 
> the free energy as a function of another parameter? Thanks a lot.

Please define what the other parameter is.  Right now the only answer is "maybe, 
maybe not."

-Justin

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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