atila petrosian wrote:
Hi gromacs users
I am beginner in gromacs. I did md simulation of a protein by gromacs
and now
I want to obtain residence time of water molecule and life time of hydrogen
bonds. Can I obtain both of them using gromacs?
please guide me by detail.
Start by searching the gmx-users list archive. This question gets asked
frequently, so there are plenty of helpful posts. Also, read the manual about
g_hbond.
-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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