Re: [AMBER] in PARALLEL - part 3

From: Anselm Horn <>
Date: Wed, 21 Jul 2010 13:21:20 +0200

Hello Asfa,

> Is it possible to run in parallel? If so, can u plz give the
> procedure and script for parallel-mmpbsa.
it's described in the Amber11 manual.
You just have to set PARALLEL to 1 (see also

However, I have not been able to complete a parallel run
sucessfully (cf my previous e-mails).

Jason wrote, that the python version had a working MPI
parallelization implemented. So maybe you should try this out.



Friedrich-Alexander-Universität Erlangen-Nürnberg

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Received on Wed Jul 21 2010 - 04:30:06 PDT
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