shahid nayeem wrote:
I thought this time to be sufficient without any reasonable basis.
If you pick an arbitrary time frame, you're going to get results with arbitrary
accuracy. Your time frame should be decided based on a whole host of factors,
not the least of which include an assessment of the types of interactions in the
system and how they may decay as a function of distance, as well as the
individual convergence of observables in each simulation. This is true of any
simulation. Only after you can conclude that each window has converged can you
expect to draw any reasonable conclusions.
-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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