Date: Fri, 14 Sep 2018 00:18:48 +0530
Dear AMBER users,
I am trying to find the coordination number of glucose with its surrounding
acetate solvent molecules within the first interaction shell of glucose. I
have obtained both the normalized RDF profile of and integrated rdf profile
from cpptraj. Is there anyway to calculate the coordination number directly
from these data? I have provided both the data files here.
Thanks,
Bharat Manna.
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- text/plain attachment: intrdf.txt
(image/png attachment: rdf.png)
- application/x-grace attachment: rdf_profile.agr
