AMBER Archive (2006)

Subject: Re: AMBER: about Silica's polarizability

From: David A. Case (
Date: Thu Aug 03 2006 - 11:16:40 CDT

On Thu, Aug 03, 2006, yxiong99 wrote:

> Which module will the polarizability parameter be used in? I am doing MMGBSA
> calculation. Whether is polarizability important for MMGBSA?

The polarizabilities are only used if ipol=1 is set in the input files. See
the general Amber paper (cited at the top of our web page) for more
information about polarizable potentials. Most biomolecular simulations use
non-polarizable charge models.


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