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
--
========================================
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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