[gmx-users] RDF

[Jafar Azamat]

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

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