[gmx-users] How to analyse the number of atom around the protein?

David van der Spoel spoel at xray.bmc.uu.se
Sun Mar 30 09:29:07 CEST 2008

fufengliu at tju.edu.cn wrote:
> Hi,
> I am trying to analyse the number of atom around the protein. For example, I want
> to calculate the number of oxygen atom of water within 3A of the protein. Can
> somebody tell me how to do it? Or tell me choose which commands to do it.
> Many thanks in advance,

> Fufengliu
> _______________________________________________
> 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