[gmx-users] RDF methanol and water

[Justin A. Lemkul]

nishap.patel at utoronto.ca wrote:
> HI,
> 
>  Okay, so I am trying to plot rdf of one methanol this time in water. Is 
> there a way to select methanol molecule as a whole (i.e. get rdf from 
> the center of the molecule), instead of Me, O and H. Even though I put 
> Me, O and H in same group, I am getting a weird rdf plot (Attached to 
> this message).
> 

Please read about the options for the -rdf flag of g_rdf.

-Justin

> -Thanks
> 
> Nisha P
> 

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================