AMBER Archive (2007)

Subject: AMBER: dielectric constant in GB/SA

From: Shuting Wei (gtg549i_at_mail.gatech.edu)
Date: Mon May 21 2007 - 15:25:12 CDT

Dear AMBER users,

I have a question regarding the dielectric constant of water used in
GB/SA. The dielectric constant for water used in the calculation is
80, which is a static dielectric constant value? But for the
solvation behavior of the system, it seems that a dielectric constant
at high frequency (THz) need to be used to describe the charge-charge
interactions of molecules? Why a static dielectric constant instead
of a frequency dependent dielectric constant is used?

Please let me know if i understand this issue correctly, thanks a lot!

Shuting

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