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<font style="font-size: 10pt;"><p style="font-size: 10pt;">I don't
understanding your purpose.</div><div>I be able to obtain RDF but not able
to obtain RDF for the centers of the geometry of molecules and RDF for
a system anealing MD.</div><div> <br></div></font>
Jafar Azamat <br>Molecular Simulations Lab.<br>Azerbaijan University<br>
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-----Original Message-----<br>
From: David van der Spoel <spoel@xray.bmc.uu.se><br>
To: Discussion list for GROMACS users <gmx-users@gromacs.org><br>
Date: Sat, 14 Aug 2010 12:10:44 +0200<br>
Subject: Re: [gmx-users] RDF<br>
<br>
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On 2010-08-14 11.55, Jafar Azamat wrote:<br>
> Hi all Gromacs users<br>
> How can report RDF for the centers of the geometry of molecules?<br>
><br>
><br>
try g_rdf -h and read which options you have.<br>
<br>
com with respect to com of another group is not possible it seems.<br>
<br>
> Jafar Azamat<br>
> Molecular Simulations Lab.<br>
> Faculty of Basic Sciences<br>
> Azerbaijan University of Tarbiat Moallem.<br>
><br>
<br>
<br>
-- <br>
David van der Spoel, Ph.D., Professor of Biology<br>
Dept. of Cell & Molec. Biol., Uppsala University.<br>
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.<br>
spoel@xray.bmc.uu.se <a href="http://folding.bmc.uu.se"
target="_blank">http://folding.bmc.uu.se</a><br>
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