[AMBER] Issue running alanine scanning

From: Núbia Prates <nnubiaits.hotmail.com>
Date: Tue, 24 Apr 2018 21:49:23 +0000

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
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