Re: [AMBER] NMOD is not running for MM PBSA

From: David A Case <>
Date: Fri, 25 Jan 2019 07:56:15 -0500

On Fri, Jan 25, 2019, Santanu Santra wrote:
>CalcError: /home/XXXX/software/amber12/bin/mmpbsa_py_nabnmode failed with
>prmtop complex_uprt.prmtop!

You need to look at the output files from the nmode step to track down
more information about the error. It could be lots of things: if you
have a very large system, you may not have enough memory. Or, other
problems could have occurred with the run.


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Received on Fri Jan 25 2019 - 05:00:02 PST
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