[gmx-users] g_rdf

[Justin A. Lemkul]

Nilesh Dhumal wrote:
> Hello,
> 
> I run a 5ns simulation for a single glucose molecule in gas phase.
> 
> I tried to plot radial distribution function for O---H intramolecular
> interactions using following command.
> 
> g_rdf -f 6.trr -s 6.tpr -n index -o
> 
> In rdf.xvg file there is no data.
> 
> Can you tell what could be the reason.
> 
> 

Probably due to exclusions in the topology, as g_rdf -h indicates.  There are 
several possible workarounds discussed in the same paragraph.

-Justin

> I am using Gromacs 4.0.7 version.
> 
> 
> Thanks
> 
> Nilesh
> 
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-- 
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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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