[AMBER] estimate memory requirements for MMPBSA.py.MPI

From: Vlad Cojocaru <vlad.cojocaru.mpi-muenster.mpg.de>
Date: Mon, 11 Nov 2013 15:52:24 +0100

Dear all,

Is there a way to a priori estimate the memory requirements for an
MMPBSA.py.MPI job given the number of atms in the system and the number
of frames to process ?

Best wishes
Vlad

-- 
Dr. Vlad Cojocaru
Max Planck Institute for Molecular Biomedicine
Department of Cell and Developmental Biology
Röntgenstrasse 20, 48149 Münster, Germany
Tel: +49-251-70365-324; Fax: +49-251-70365-399
Email: vlad.cojocaru[at]mpi-muenster.mpg.de
http://www.mpi-muenster.mpg.de/research/teams/groups/rgcojocaru
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Received on Mon Nov 11 2013 - 07:00:03 PST