Re: AMBER: mm-pbsa / sander.MPI ?

From: Miguel Ortiz-Lombardía <ibdeno.gmail.com>
Date: Thu, 14 Aug 2008 09:58:54 +0200

Hi,

Perhaps if you modify the script to do so... but in my opinion you shouldn't
get much improvement. The slowest part of the analysis is on nmode hands,
and nmode is not parallelized (as for amber9).


M.

2008/8/14 Arturas Ziemys <arturas.ziemys.uth.tmc.edu>

> Hi,
>
> Can MM-PBSA calculations be run with parallel version of sander ?
>
> Arturas
>
> --
>
> Arturas Ziemys, PhD
> School of Health Information Sciences
> University of Texas Health Science Center at Houston
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Received on Sun Aug 17 2008 - 06:07:21 PDT
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