Dear Matias,
Thank you so much for the clarification. It helps a lot.
Regards,
B Manna
PhD Scholar
On Thu, Sep 13, 2018 at 11:48 AM Bharat Manna <bharatmanna.gmail.com> wrote:
> 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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Received on Thu Sep 20 2018 - 13:30:03 PDT
