Hi,
So where are the epsilon parameters (VDW)?
Dian
On Mon, Feb 15, 2010 at 11:29 AM, Jason Swails <jason.swails.gmail.com>wrote:
> 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
>
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Received on Mon Feb 15 2010 - 11:00:03 PST
