Re: [AMBER] MMPBSA: question of pairwise per residue decomposition

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Wed, 4 May 2016 12:36:11 -0700

I'm guessing the electrostatics are due to Ewald summation (long-range effects between the residue and its infinite images).

Bill

Resid 1
Resid 2
Internal
van der Waals
Electrostatic
Polar Solvation
Non-Polar Solv.

> ARG 220
> ARG 220
> 0.00
> 0.00
> 0.00
> 2.79
> 0.52
> 3.31


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Received on Wed May 04 2016 - 13:00:04 PDT
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