A surface area term is a simple approximation for nonpolar solvation
effects. A portion of that arises from water entropy. So yes, this is
related to water entropy, but perhaps not in a very quantitative way.
On Mon, Jan 13, 2020, 8:48 AM Rosellen, Martin <martin.rosellen.16.ucl.ac.uk>
wrote:
> Hi David,
>
> thanks for the clarification.
>
> In the Amber tutorial on MMGBSA
> http://ambermd.org/tutorials/advanced/tutorial3/ there is an empirical
> term for hydrophobic contributions mentioned. As I understand you this does
> not related to entropy at all?
>
> best
> Martin
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Received on Mon Jan 13 2020 - 05:30:02 PST
