Ok, thanks!
2008/1/11, Berk Hess <[EMAIL PROTECTED]>:
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> > 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
> >
> 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
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> Oh yes, the -rdf option! And the run input file! That makes me feel kinda
> stupid... Thank you
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 t
Vasilii Artyukhov wrote:
Hi everybody,
I'm dealing with aqueous solutions of some small molecules. Just to clarify:
1) When I type g_rdf, is the -com option on by default? g_rdf -h makes
me suspect it is...
read again.
2) When I type g_rdf -nocom, what point of the molecule does the
resulti
Hi everybody,
I'm dealing with aqueous solutions of some small molecules. Just to clarify:
1) When I type g_rdf, is the -com option on by default? g_rdf -h makes me
suspect it is...
2) When I type g_rdf -nocom, what point of the molecule does the resulting
RDF correspond to?
3) g_rdf -h says that
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