[gmx-users] g_hbond

[Justin A. Lemkul]

Nilesh Dhumal wrote:
> Hello,
> I have a system with a glucose molecule and 256 water molecules.
> I want to find out the number of hydrogen bond between the hydrogen atom
> of OH group of glucose and the oxygen atom of water.
> How can I  make the index file.

Type "help" at the make_ndx prompt for examples.  These groups are very easy to 
create by specifying the desired atom names.

-Justin

> Thanks
> 
> NIlesh
> 
> 
> 

-- 
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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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