[gmx-users] RDF methanol and water

Justin A. Lemkul jalemkul at vt.edu
Wed Dec 16 21:59:41 CET 2009

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.


> -Thanks
> Nisha P


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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