[gmx-users] g_order utility bug

[David van der Spoel]

Wesley Smith wrote:
> Does anyone know if the bug in the g_order utility
> (bugzilla #84) is specific to one type of hardware or
> does it apply to anyone running gromacs 3.3.1.
> I have been trying to get the program to calculate
> deuterium order parameters, but I cannot seem to get
> any output files other than the distance and angle
> tetrahedrality parameters. I have tried setting up my
> index file in various ways, but in every case, the
> program runs without showing any errors yet will only
> output sk-dist.xvg and sg-ang.xvg. Is this because of
> an improperly set up index file, or a bug in the program?
> 
> 
this is the bug that has been fixed as described in bugzilla.
you need to apply the patch to your source code and recompile.
>        
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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