[gmx-users] g_hbond

Mark Abraham mark.abraham at anu.edu.au
Tue Aug 31 04:48:10 CEST 2010

----- Original Message -----
From: Nilesh Dhumal <ndhumal at andrew.cmu.edu>
Date: Tuesday, August 31, 2010 12:42
Subject: [gmx-users] g_hbond
To: gmx-users at gromacs.org

> 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.

Start here http://www.gromacs.org/Documentation/Gromacs_Utilities/make_ndx


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