On Mon, Apr 1, 2013 at 3:18 AM, Tommy Yap <tommyyap87.gmail.com> wrote:
> Hi,
>
> I tried running MMPBSA in AMBER11 and i got this error. Please assist me.
> Thanks
>
> Reading command-line arguments and input files...
> Loading and checking parameter files for compatibility...
> ptraj found! Using /usr/local/amber11/bin/ptraj
> Error: mmpbsa_py_energy could not be found!
>
This program (mmpbsa_py_energy) is built as part of MMPBSA.py. Are you
using MMPBSA.py from AmberTools 12? If so, please set AMBERHOME to your
AmberTools installation. If mmpbsa_py_energy really does not exist, you
will have to rebuild MMPBSA.py
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Apr 01 2013 - 05:30:02 PDT
