Re: [AMBER] preparation of silver metal parameter file

From: Jason Swails <>
Date: Sat, 28 Apr 2012 12:50:45 -0400

On Sat, Apr 28, 2012 at 9:05 AM, Navin Jain <> wrote:

> Hi everyone,
> I would like to study the interactions of silver atoms (zero charge)
> with a protein molecule. However, I am facing difficulty in preparing
> silver parameter file. In addition, can anyone suggest the best force
> field to study metal protein interactions.

A neutral silver atom? That seems unusual. With no charge, the silver
atom will just act like an ideal gas (i.e., it will only have dispersive
van der Waals terms). I am skeptical that you would learn anything from a
force field description of this system (it's also very unusual to have
silver -not- in an ionized form in solution...). I am convinced you would
not learn anything interesting from a fixed-charge force field, and even
using a polarizable force field is still unlikely to yield insight.


Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
AMBER mailing list
Received on Sat Apr 28 2012 - 10:00:03 PDT
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