[gmx-users] on the Umbrella Sampling tutorial

[Justin A. Lemkul]

Acoot Brett wrote:
> 
> Dear All,
> 
> For the on-line Umbrella Sampling tutorial 
> "http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/umbrella/04_EM_equil.html" 
> of *Justin Lemkul*, will you pleasse tell me for the equilibration where 
> there is no NVT equilibration?
> 

It wasn't necessary.  The system is quite robust and my experience has indicated 
that NPT equilibration was sufficient.

-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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