[gmx-users] residence time of water molecule and life time of hydrogen

Justin A. Lemkul jalemkul at vt.edu
Mon Oct 18 13:04:49 CEST 2010



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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