[gmx-users] Radius of gyration

[David van der Spoel]

Johnny Lam wrote:
> Hi all,
> 
> I am looking to equilibrate a peptide chain and I was wondering, is 
> there any way or any command that I can input into gromacs to make the 
> program output the radius of gyration data? Thanks a lot everyone!
> 
you can analyze the trajectory using g_gyrate, but mdrun can not print 
it directly if that is what you mean.
> --Johnny
> 
> -- 
> -------------------------------------------------
> Johnny Lam
> ISPE Berkeley Chapter External Vice President
> Department of Bioengineering
> College of Engineering
> University of California, Berkeley
> Tel: (408) 655- 6829
> Email: johntus at berkeley.edu <mailto:johntus at berkeley.edu>
> 
> 
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-- 
David van der Spoel, Ph.D., Professor of Biology
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