On 12/12/12 9:29 PM, xi zhao wrote:
Dear gmx-users：
I want to analysis PCA for many crystal strcutures, comparing with MD
trajectories, but how to build xtc file from many same structures whchi are
different conforamtional states.
Each configuration can be converted to an .xtc frame with trjconv, then
concatenated with trjcat.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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