Re: [AMBER] error MMPBSA

From: David A Case <>
Date: Mon, 11 May 2020 07:51:49 -0400

On Mon, May 11, 2020, MYRIAN TORRES RICO wrote:
>I want to calculate GB and PB energies, but this error appears:
>CalcError: /opt/amber12/bin/sander failed with prmtop smp-198ptn-dry.prmtop!

Look in the sander mdout file for what the error is. Also, please
consider upgrading to AmberTools20: Amber12 was released 10 years ago,
and we have made lots of improvements since then. Ten years in
software-development-time (not to mention covid19-time) is a lot.


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Received on Mon May 11 2020 - 05:00:02 PDT
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