AMBER Archive (2006)

Subject: Re: AMBER: about Silica's polarizability

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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.

....dac

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• Next message: David A. Case: "Re: AMBER: TI-FEP for ILE--->VAL."
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• In reply to: yxiong99: "AMBER: about Silica's polarizability"
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