On 4/21/13 9:47 AM, aixintiankong wrote:
Dear,
could you tell me more detailed about to extract frames from a MD to align.
i try the follow command,but it does not work,
trjconv -s topol.tpr -f traj.xtc -skip 10 -pbc nojump -sep.
could you tell me how to align all the frames with the first pdb file that was
extracted from traj.xtc ?
trjconv -fit rot+trans
Extract frames from the fitted trajectory produced by that command.
-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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