[gmx-users] g_hbond

Justin A. Lemkul jalemkul at vt.edu
Tue Aug 31 04:47:19 CEST 2010

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.


> Thanks
> NIlesh


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list