[AMBER] error: GBSA with mm_pbsa.pl

From: manikanthan bhavaraju <manikanthanbhavaraju.gmail.com>
Date: Wed, 13 Jul 2011 22:35:25 -0500

I am trying to calculate GBSA with amber10 using mm_pbsa.pl in parallel. I
have generated required snapshots. When I running the mm_pbsa.pl script for
GBSA it is giving the following error:

File SANDER is not found.

Execution of the script is done through mpiexec -n 1
$AMBERHOME/src/mm_pbsa/mm_pbsa.pl binding_energy.mmgbsa > binding.log

I have even added in the input file
SANDER $AMBER/exe/sander.MPI
Still I am getting same error. Any insights?

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Received on Wed Jul 13 2011 - 21:00:03 PDT
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