On 6/19/13 11:21 AM, aixintiankong wrote:
Dear,
In the MD, I find that when the ligand keep in the active site , the
channel formed by two loops is closed. without the ligand the channel is
opened. I don't know how to describe the change of channel. could i describe
the channel by calculating the the most narrow distance(mass center) between
the residues on the two loops? please give me some adviece. thank you very much!
This question was answered already:
http://lists.gromacs.org/pipermail/gmx-users/2013-June/082350.html
-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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