Re: [AMBER] Problem with mmpbsa

From: David Case <>
Date: Mon, 20 Feb 2017 10:33:18 -0500

On Mon, Feb 20, 2017, Tiffani Rovira wrote:
> I have the following problem with the mmpbsa calculation:
> PrmtopError: Complex natom != receptor natom + ligand natom
> Exiting. All files have been retained.
> I already have tried to solve it but I couldn't.

I'm not sure that this can be easily debugged by email. Look at each of the
three prtmop files (complex, receptor, ligand), and see if they contain the
atoms you expect them to have. That will help narrow down the problem.

....good luck....dac

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Received on Mon Feb 20 2017 - 08:00:02 PST
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