AMBER Archive (2004)

Subject: AMBER: intrinsic born radius of Br

From: Oliver Hucke (
Date: Tue Aug 17 2004 - 20:33:18 CDT

Dear amberites,

I prepared a prmtop file for a molecule containing a bromine atom.
I used mboni radii ("set default PBradii mbondi" in leap).
In the RADII section of the prmtop file I see a value of 1.5 assigned to
the Br atom.

Is this value correct? Chlorine gets a value of 1.7, i.e. its radius is
significantly larger than the Br radius!?

Thanks very much,


Oliver Hucke, Dr. Health Sciences Building - K418C University of Washington 1959 NE Pacific St. Dept. of Biochemistry phone: (206) 685 7046 Box 357742 fax : (206) 685 7002 Seattle, WA 98195-7742 email: _______________________________________________________________

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