[gmx-users] how to get averaged coordinates for a residue in a time interval?

Justin A. Lemkul jalemkul at vt.edu
Thu Apr 1 18:18:10 CEST 2010



Wu Rongqin wrote:
> Dear all,
> 
> How to get the averaged coordinates for a short time range say, 10 ps? 
> which utility should be used?

g_traj to extract the coordinates, g_analyze to do averaging.

-Justin

> 
> r. q.
> 

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

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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