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

From: David Case <>
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.


AMBER mailing list
Received on Fri Nov 23 2018 - 07:00:02 PST
Custom Search