Yao Yao wrote:
Hi Gmxers,
I used g_hbond -n protein.ndx -hbn output.xvg
to get the index of all the atoms forming H-bond with the protein,
but since H-Bonds should be dynamic as time evolves, I should see
changing number of HBonds in the output.xvg which I have not seen yet.
Kinda confused.
The output of -hbn is an index file, not an .xvg file. The index file can be
mapped to the output of -hbm, which is an existence matrix of the hydrogen
bonds. Some may swap simultaneously, so you may not see dramatic changes in the
output of -num (the number of hydrogen bonds).
-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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