[gmx-users] 'hq' flag of g_rdf
Tsjerk Wassenaar
tsjerkw at gmail.com
Fri Feb 23 16:37:10 CET 2007
Hi Sunita,
Undocumented feature, tsk, tsk. Someone should do something about it.
But in the code it says that it's the Fourier transform of the RDF.
Hope it helps,
Tsjerk
On 2/23/07, sunita at chem.iitb.ac.in <sunita at chem.iitb.ac.in> wrote:
> Dear Users,
>
> What is meant by the output file produced by 'hq' flag of g_rdf program.
> I didn't find it in manual.
>
> Thanks in advance.
>
> Regards,
> sunita
>
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--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
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