AMBER Archive (2006)

Subject: Re: AMBER: where to set bondi radii for halogens

From: David A. Case (case_at_scripps.edu)
Date: Fri Oct 27 2006 - 19:24:12 CDT


On Fri, Oct 27, 2006, Giulio Rastelli wrote:

> Are bromine (and iodine?) bondi radii correctly included
> in unitio.c?

No...but it is simple to add them: just search for dGBrad and set them up the
same way that fluorine and chlorine are.

...dave

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