[gmx-users] RE: g_rdf

[Erik Lindahl]

Hi Jane,

>
> I am simulating the system of water+methane. Can you please let me  
> know
> how to use g_rdf to analyze the radial distribution around a specific
> set of particles, for example, O-O O-H H-H CH4-O or CH4-CH4.

Please start by reading the manpage (or do g_rdf -h) and ask more  
specific questions if you still don't understand it. You'll need to  
create index groups for the atoms you want to analyze.

Cheers,

Erik

-----------------------------------------------------------
Erik Lindahl  <lindahl at sbc.su.se>
Assistant Professor, Stockholm Bioinformatics Center
Stockholm University, SE 106 91 Stockholm
Phone: +46 8 5537 8564     Fax: +46 8 5537 8214