AMBER Archive (2006)

Subject: Re: AMBER: does the Amber8 or Amber9 contains Br,I and Sulfur parameter for MM-PBSA or MM-GBSA.

From: David A. Case (case_at_scripps.edu)
Date: Wed Jun 07 2006 - 17:22:41 CDT

On Tue, Jun 06, 2006, linfu wrote:
>
> when doing the MM-PBSA or MM-GBSA, does the Amber8 or Amber9 contains Br,I
> and Sulfur parameter for PB or GB.

Sulfur is certainly there; surface area parameters and intrinsic Born radii
have not been worked out carefully for bromine and iodine.

...dac

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