[gmx-users] g_rdf -[no]com

[Vasilii Artyukhov]

Ok, thanks!

2008/1/11, Berk Hess <gmx3 at hotmail.com>:
>
>
>
>
> ________________________________
> > Date: Fri, 11 Jan 2008 15:58:23 +0100
> > From: darth.vasya at gmail.com
> > To: gmx-users at gromacs.org
> > Subject: Re: [gmx-users] g_rdf -[no]com
> >
> > Oh yes, the -rdf option! And the run input file! That makes me feel
> kinda stupid... Thank you very much & sorry for the dumb questions.
> >
> > But still, having read the help again, I don't quite get the logic
> behind g_rdf -com -rdf atom -n -s giving me an all-zero output for the RDF
> between the COM of the molecule and water oxygen (which is I suppose what I
> request it to produce). However, using -rdf mol_com seems to work fine.
>
> The output should be the same, but there is a bug in g_rdf -com.
> I have fixed it for the next release.
>
> Berk.
>
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