Dear Amber users:
In the manual, the definition of DIELC parameter in Sander module is thus following.
"DIELC Dielectric multiplicative constant for the electrostatic interactions. Default is
1.0. Please note this is NOT related to dielectric constants for generalized
Born simulations."
Does that mean as running energy minimizations based on GB, the EEL term would not have any changes no matter setting any DIELC values?
Then, what is the really using value of dielectric constants for calculating the electrostatic interactions (EEL) between the protein's parts in GB?
Best wishes.
backy
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Received on Sun Aug 13 2006 - 06:07:19 PDT
