xi zhao wrote:
Dear sir :
I want to analye a collective motions of a single structure by PCA , for
example, how to choose reference structure using g_covar; how to show
its position in 2D-projection (conformational space)?
thank you very much!
There have been several discussions on this topic (hint: search the list
archive), one even in recent days:
http://lists.gromacs.org/pipermail/gmx-users/2010-March/049525.html
Also, read g_covar -h for information about the algorithm.
-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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