Dear prof. Baker,

I was thinking of the entire contribution to the polar solvation energy.

d.

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2010/5/21 Nathan Baker <nathanandrewbaker@gmail.com>
Hi Dimitrios --

Are you referring to the strictly-electrostatic contribution (i.e., no changes to the dielectric barrier; only changes to charge distribution) or the entire (dielectric and charge) contribution to the polar solvation energy?

Thanks,

Nathan


On 5/20/2010 9:31 AM, Dimitrios Spiliotopoulos wrote:

Dear APBS Users,

has anybody implemented a method to decompose on a per-residue basis the
values of solvation energy?

Thank you very much in advance!

Dimitrios Spiliotopoulos


 



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