Re: [AMBER] Clarification on sander

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 16 Apr 2013 15:07:03 -0400

On Tue, Apr 16, 2013 at 2:24 PM, George Tzotzos <gtzotzos.me.com> wrote:

> The Amber 11 manual, p.19 states
> "Non-additive" force fields based on atom-centered dipole polarizabilities
> can also be used. These add a "polarization" term…etc"
>
> I assume that sander by default does not use such polarisation term.
>
> Can anyone please confirm that this is the case?
>

This is correct. This is specified in the topology file now.

All the best,
Jason

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Apr 16 2013 - 12:30:03 PDT
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