[gmx-users] g_hbond command problem
David van der Spoel
spoel at xray.bmc.uu.se
Mon Dec 3 13:55:50 CET 2007
wangcl wrote:
> Dear all users,
> I want to analyze Hydrogen-bond among water molecules using "g_hbond"
> command. We use periodic boundary conditions in the simulation box.
> The question is: I don't know whether this "g_hbond" tool considers the
> "periodic boundary conditions", that is,
> whether this tool considers Hydrogen-bonds formed between BOUNDARY
> water molecules due to pbc.
it does
>
> GROMACS 3.3.1 is used.
>
> Thank you!
>
> Chunlei Wang
>
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--
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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