David van der Spoel
spoel at xray.bmc.uu.se
Sat Aug 14 12:10:44 CEST 2010
On 2010-08-14 11.55, Jafar Azamat wrote:
> Hi all Gromacs users
> How can report RDF for the centers of the geometry of molecules?
try g_rdf -h and read which options you have.
com with respect to com of another group is not possible it seems.
> Jafar Azamat
> Molecular Simulations Lab.
> Faculty of Basic Sciences
> Azerbaijan University of Tarbiat Moallem.
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
spoel at xray.bmc.uu.se http://folding.bmc.uu.se
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