AMBER Archive (2004)

Subject: AMBER: intrinsic born radius of Br

From: Oliver Hucke (ohucke_at_u.washington.edu)
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 

-- 
_______________________________________________________________

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: ohucke_at_u.washington.edu
_______________________________________________________________

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