Dear AMBER users,
I am trying to run an alanine scanning calculation on the binding free energy of protein-protein complexes.
I got the error message:
PrmtopError: Complex natom != receptor natom + ligand natom*
I verified the prmtop file of the complex, and it have the same atom numbers as the sum between receptor.prmtop and ligand.prmtop atoms.
Can anyone help me with that?
Cheers,
Núbia
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Received on Tue Apr 24 2018 - 15:00:03 PDT
