Re: [AMBER] Getting error for MMPB/GBSA calculaton

From: David Case <david.case.rutgers.edu>
Date: Fri, 23 Nov 2018 14:47:34 +0000

On Thu, Nov 22, 2018, Saikat Pal wrote:
>
>CalcError: /home/saikat/softwares/AMBER/amber18/bin/mmpbsa_py_energy failed with prmtop com-chol.prmtop!
>Exiting. All files have been retained.
>
>Is it a python problem or system error?

Probably neither. You need to examine the output files that were saved
to look for the "real" error messages.

....dac


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Received on Fri Nov 23 2018 - 07:00:02 PST
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