[gmx-users] g_hbond

[Justin A. Lemkul]

Nilesh Dhumal wrote:
> Hello,
> 
> I am trying to calculate number of hydrogen bond (O-H---CL)in my system.
> 
> I use the following command
> 
> 
>  g_hbond -f 3.trr -s 3.tpr -n hbond18.ndx -nonitacc -num
> 
> 
> Output file hbnum.xvg shows zero number of hydorgen bond.
> 
> Can you tell me why its showing zero no.
> 
> A strong peak is found in rdf between H and CL at 2.0 A.
> 

Chlorine is not considered a receptor in g_hbond.

-Justin

> I am using Gromacs 4.0.7 version.
> 
> 
> 
> 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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