[AMBER] writing out atom radii optimized for PBSA (radiopt=1)

From: Vlad Cojocaru <vlad.cojocaru.mpi-muenster.mpg.de>
Date: Fri, 08 Nov 2013 09:50:19 +0100

Dear all,

I am wondering if there is any way to write out the atomic radii that
are optimized for PBSA and are not available from the topology file
(those used when radiopt=1 in sander/pbsa) ...

Best,
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 Fri Nov 08 2013 - 01:00:04 PST