Re: [AMBER] anal in parallel

From: David A Case <case.biomaps.rutgers.edu>
Date: Wed, 25 Jan 2012 07:50:47 -0500

On Wed, Jan 25, 2012, Jio M wrote:
>
> Can anal module in AMBER9 be used in parallel?

The program itself, in addition to being way outdated, is not intrinsically
parallel. You could write a simple driver to have several individual runs
exeucted in parallel. For the longer term, you should see if mmpbsa.py or
cpptraj meets your needs...they are designed to carry out analysis in
parallel.

....dac


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Received on Wed Jan 25 2012 - 05:00:03 PST
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