[email protected] 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
========================================
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