[gmx-users] water bridge

Justin A. Lemkul jalemkul at vt.edu
Thu Jul 12 14:13:08 CEST 2012

On 7/12/12 8:02 AM, Raj wrote:
> Hi all,
> I have an protein and drg complex. I've done the MD in SPC water
> environment. Now I would like to check number of hydrogen bond formed
> between the drug and protein, water as well. What will the right command for
> me to analyse. Thanks in advance

g_hbond with suitable index groups.  If you're looking for water-mediated 
hydrogen bonds, there are numerous discussions about ways to accomplish that if 
you search the mailing list archive.



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


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