AMBER: intrinsic born radius of Br

From: Oliver Hucke <ohucke.u.washington.edu>
Date: Tue, 17 Aug 2004 18:33:18 -0700

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.u.washington.edu
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Received on Thu Aug 19 2004 - 00:53:02 PDT
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