You might want to read about the GIST method.
On Fri, Dec 8, 2023, 8:24 AM Dulal Mondal via AMBER <amber.ambermd.org>
wrote:
> Dear Experts,
>
> I am trying to calculate the entropy of the active site water molecules.
> How can I calculate in cpptraj?
>
> Thanking You
>
> --
> *With regards,*
> *Dulal Mondal,*
> *Research Scholar,*
> *Department of Chemistry,*
> *IIT Kharagpur, Kharagpur 721302.*
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Received on Fri Dec 08 2023 - 05:30:03 PST
