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

Justin A. Lemkul jalemkul at vt.edu
Fri Jan 6 17:56:49 CET 2012

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 A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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