Ok, thanks!
2008/1/11, Berk Hess <[EMAIL PROTECTED]>: > > > > > ________________________________ > > Date: Fri, 11 Jan 2008 15:58:23 +0100 > > From: [EMAIL PROTECTED] > > To: gmx-users@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. > > _________________________________________________________________ > Express yourself instantly with MSN Messenger! Download today it's FREE! > > http://messenger.msn.click-url.com/go/onm00200471ave/direct/01/_______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > 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 [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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