[gmx-users] g_rdf
David van der Spoel
spoel at xray.bmc.uu.se
Wed Mar 7 16:09:11 CET 2007
marco cammarata wrote:
> Hi,
>
> I'm using g_rdf to calculate the RDF of a system.
> The "r range" ends at 3nm.
> I would like to change it to 100nm but it seems that there are
> no option for it.
> Can you help me ?
> thanks,
> marco
>
The CVS version has an option to turn off the periodic boundary
conditions. That only makes sense in special cases though.
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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