[gmx-users] RDF(PMF) and Umbrella sampling

[Justin A. Lemkul]

Dariush Mohammadyani wrote:
> Hi Gavin,
> 
> A question arose for me: why did you consider the (rate = 0)?
> 

During umbrella sampling one restrains the configuration; you don't steer it 
along the vector between the COM's of the two species.

-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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