[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
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

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

More information about the gromacs.org_gmx-users mailing list