[gmx-users] g_rdf -[no]com
darth.vasya at gmail.com
Fri Jan 11 16:39:49 CET 2008
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.
> Express yourself instantly with MSN Messenger! Download today it's FREE!
> gmx-users mailing list gmx-users at gromacs.org
> 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
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users