[gmx-developers] Patch: Calculating internal distances in g_polystat

[David van der Spoel]

Janne Blomqvist wrote:
> Hello all,
> 
> the attached patch (against 4.0.3 src/tools/gmx_polystat.c) adds an 
> option to calculate mean square internal distances (see Auhl et al., JCP 
> 119, 12718) to the g_polystat utility. It would be nice if you'd 
> consider adding it to gromacs.
> 
I've added it to the CVS version.

> Regards,
> 
> 
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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