AMBER Archive (2004)

Subject: AMBER: born radius and screening parameter for Br

From: Oliver Hucke (ohucke_at_u.washington.edu)
Date: Thu Aug 19 2004 - 17:58:44 CDT

Dear all,

reading the code in unitio.c I figured out that Br gets a born radius of
1.5A because no radius is explicitly assigned and 1.5 is the default
assignment, right?
I would like to add the Bondi radius for Br to unitio.c but I am
wondering which screening parameter to use.
Where can I find information about the screening parameters giving me an
idea which value to use for Br?

Thanks,
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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