On Mon, Feb 25, 2013 at 9:15 PM, Tommy Yap <tommyyap87.gmail.com> wrote:
> Hi, I have a problem with MMPBSA in AMBER 11. I ran MD simulations and
> tried running MMPBSA. But error occurs stating that my prmtop file
> ligand+receptop doesnt tally with complex. Is there any way to solve this?
>
Generate the correct topology files...
You can either go back to tleap to do this or use ante-MMPBSA.py (you need
AmberTools 12 to use ante-MMPBSA.py).
Good luck,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Feb 26 2013 - 06:00:03 PST
