On Mon, Feb 25, 2013 at 1:33 PM, Saugata Hazra <saugata.iitk.gmail.com>wrote:
> Yes, I want to calculate the total binding free energy of protein with both
> ATP and Mg2+. I have already merged the files of Mg and ATP in one file
> (the ligand file). But when I have tried to run MMPBSA, it gives an error
> during "calculating ligand contribution". So, I need suggestion/help to
> overcome this problem.
>
You need to provide the whole error message. The one you provided doesn't
give nearly enough information to help debug.
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Feb 25 2013 - 12:00:03 PST
