Re: [AMBER] Error with MMPBSA

From: Monsurat M. Lawal <>
Date: Tue, 7 Dec 2021 07:51:33 -0500

Hello Kehinde,

Could you please share your script to run the job?


On Mon, Dec 6, 2021 at 9:06 PM Kehinde Idowu <> wrote:

> Hi guys, Please, I need your assistance. I was trying to calculate binding
> energy between two receptors using MMPBSA script on Amber 14, however, I
> keep getting this error message bellow in my mmpbsa.log file. Kindly advise
> on this.Thanks.
> -------------------------------------------------------Primary job
> terminated normally, but 1 process returneda non-zero exit code.. Per
> user-direction, the job has been
> aborted.-------------------------------------------------------------------------------------------------------------------A
> process or daemon was unable to complete a TCP connectionto another
> process: Local host: cnode0451 Remote host: cnode0451This is usually
> caused by a firewall on the remote host. Pleasecheck that any firewall
> (e.g., iptables) has been disabled andtry
> again.--------------------------------------------------------------------------------------------------------------------------------------mpirun
> detected that one or more processes exited with non-zero status, thus
> causingthe job to be terminated. The first process to do so was:
> Process name: [[11143,1],15] Exit code:
> 2--------------------------------------------------------------------------~
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Received on Tue Dec 07 2021 - 05:00:02 PST
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