Re: [AMBER] MMPBSA errors

From: David A Case <>
Date: Thu, 25 Mar 2021 08:42:17 -0400

On Thu, Mar 25, 2021, A. Bakheit wrote:

>CalcError: /home/abakheit/amber20_src/bin/sander failed with prmtop
>Exiting. All files have been retained.

You have to look at the mdout file for the sander run with the complex
prmtop to find clues about what went wrong.

[Scott: can we add a note to the error message asking users to look at the
output files that have been retained to try to find the origins of the

...good luck....dac

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Received on Thu Mar 25 2021 - 06:00:02 PDT
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