Yes, a trajectory generated using either pmemd or pmemd.cuda can be used
with MMPBSA.py.
-Bill
On Mon, Oct 14, 2013 at 1:46 AM, Sangita Kachhap <sangita.imtech.res.in>wrote:
>
>
> Hello
>
> I have a query regarding MMPBSA calculation. I want to know that can I
> use PMEMD or PMEMD.cuda generated trajectory to calculate binding free
> energy using MMPBSA.py.
>
> --
> Sangita Kachhap
> C/O Dr. Balvinder Singh
> BIC
> IMTECH
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Bill Miller III
Post-doc
University of Richmond
417-549-0952
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Oct 14 2013 - 06:00:03 PDT
