Hello,
On Mon, Feb 15, 2010 at 1:16 PM, s. Bill <s_bill36.yahoo.co.uk> wrote:
> Dear Dr. Miller
> Thank you for your help. I got it now.
> But, my zinc ion radius is 1.1 (as in my zinc frcmod file), and when I searched under %FLAG RADIUS_SET for this number in prmtop file of my enzym, I couldn't find it.
Search under %FLAG RADII. %FLAG RADIUS_SET is just the section that
tells what radius "set" was used to create the radii (for instance,
mbondi2, mbondi, etc.).
Good luck!
Jason
--
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Feb 15 2010 - 11:00:02 PST
