[gmx-users] RDF methanol and water
nishap.patel at utoronto.ca
nishap.patel at utoronto.ca
Wed Dec 16 21:50:12 CET 2009
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).
-Thanks
Nisha P
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1.054 1.03456
1.056 1.03492
1.058 1.00601
1.06 1.03192
1.062 1.02993
1.064 1.02002
1.066 0.980752
1.068 1.00701
1.07 1.00141
1.072 1.02325
1.074 0.96385
1.076 1.04395
1.078 0.99488
1.08 0.98586
&
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