Dear amber users
I want to calculate binding free energy with mmpbsa, but I get this error:
Found an invalid periodicity in the prmtop file: 0
CalcError: /user/local/amber12/bin/mmpbsa_py_energy failed with prmtop BNNTnew.prmtop!
where BNNTnew.prmtop is the complex file in my case,
as well as I added parameters to frcmod for simulation, Is it related to this error?
best regards.
Z. Khatti, Ph.D student of Physical Chemistry,
Department of Chemistry, Iran University of Science & Technology,Tehran, Iran
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Received on Thu May 22 2014 - 08:30:02 PDT
