On Sun, Feb 15, 2015 at 12:31 AM, zahra khatti <zkhatti2000.yahoo.com>
wrote:
> Dear amber users In my case, there are two similar ligand and a
> receptor.How could I obtain binding free energy between them with
> MMPBSA.py?Is there any option ?
Yes. Run MD simulations for both bound complexes and then run MMPBSA.py
on the result.
For more information, consult the tutorials at
http://ambermd.org/tutorials
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Sun Feb 15 2015 - 06:00:05 PST
