[gmx-users] RDF

Jafar Azamat jafar.azamat at azaruniv.edu
Sat Aug 14 13:25:30 CEST 2010

I don't understanding your purpose.
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.

Jafar Azamat 
Molecular Simulations Lab.
Azerbaijan University

-----Original Message-----

From: David van der Spoel <spoel at xray.bmc.uu.se>

To: Discussion list for GROMACS users <gmx-users at gromacs.org>

Date: Sat, 14 Aug 2010 12:10:44 +0200

Subject: Re: [gmx-users] RDF

On 2010-08-14 11.55, Jafar Azamat wrote:

> Hi all Gromacs users

> How can report RDF for the centers of the geometry of molecules?



try g_rdf -h and read which options you have.

com with respect to com of another group is not possible it seems.

> Jafar Azamat

> Molecular Simulations Lab.

> Faculty of Basic Sciences

> Azerbaijan University of Tarbiat Moallem.



David van der Spoel, Ph.D., Professor of Biology

Dept. of Cell & Molec. Biol., Uppsala University.

Box 596, 75124 Uppsala, Sweden. Phone:   +46184714205.

spoel at xray.bmc.uu.se    http://folding.bmc.uu.se [http://folding.bmc.uu.se/]


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