Re: [AMBER] Error in calculating MM-PBSA

From: David A Case <david.case.rutgers.edu>
Date: Sun, 29 Oct 2017 08:14:01 -0400

On Sun, Oct 29, 2017, Mustafa Alhaji Isa wrote:

> /opt/mpi/openmpi/1.3.3/intel/bin/MMPBSA.py -O -i mmpbsa.in -o

> /opt/gridengine/default/spool/compute-0-25/job_scripts/5079464: line
> 8: /opt/mpi/openmpi/1.3.3/intel/bin/MMPBSA.py: No such file or directory

This is a pretty clear error message: there is no MMPBSA.py file in
the directory you specified. MMPBSA.py will be in $AMBERHOME/bin.

...dac


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Received on Sun Oct 29 2017 - 05:30:03 PDT
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