[AMBER] Delta G pb and Delta G Sa

From: Keiran Corbett <keirancorbett.gmail.com>
Date: Mon, 3 Dec 2018 16:00:11 +0000

Hello,

I want to calculate the deltaG of the polar and non polar contributions.

I was going to use Poisson Boltzmann and Solvent accessible surface
calculations..


I have had a good look through the manuel and think I need to use Sander
and Molsurf.
I wondered if anyone had an example tutorial or command for these (I have
had a look in the manual and am still quite confused)

I have a pdb file of a crystal structure of protein-ligand

Many thanks
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Received on Mon Dec 03 2018 - 08:30:01 PST
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