Hello,
Are you using "iwrap" in your simulations? It may be an imaging artifact
that's causing your ligand to appear to leave your receptor when it's really
just showing a different periodic image.
Good luck!
Jason
On Tue, Sep 28, 2010 at 6:14 PM, Jiang Yusheng <yusheng0104.gmail.com>wrote:
> Hello
>
> I am running Glycam MD. I found the ligand in the complex separated
> into two parts sometimes. Do you know what was the reason? Do I need
> connect the atoms in the ligand?
>
> Thanks for your attention
>
> Jason
>
> --
> Yusheng Jason Jiang
> Department of Chemistry
> Georgia State University
> Atlanta, 30302 GA
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
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 Tue Sep 28 2010 - 18:00:03 PDT
