[AMBER] Empirical force fields: release of R.E.D. Server Dev./PyRED Nov. 2014

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Tue, 09 Dec 2014 09:30:32 +0100

Dear All,

I am pleased to announce the release of the R.E.D. Server
Development/PyRED version November 2014 at q4md-forcefieldtools.org:
      http://q4md-forcefieldtools.org/REDServer-Development/

Among the new developed features this version handles the Amber
non-additive force field model:
     - i. e. generation of polarizable force fields.


The list of the new features developed in this version is available at:
http://q4md-forcefieldtools.org/REDServer-Development/Bugs-NewFeatures.txt

Documentation has been updated:
http://q4md-forcefieldtools.org/REDServer-Development/Documentation/

New tutorials are available at:
http://q4md-forcefieldtools.org/Tutorial/Tutorial-4.php
The 'Re_Fit' mode, as well as the 'Complex' mode and the broken
symmetry approach developed for bioinorganic complexes are described.
Force field generation with lone-pairs and/or extra-points, using
GAFF, OPLS and the Glycam 2004/2006 force fields, and generation of
Amber polarizable force fields are also demonstrated.

R.E.D. Server Development interfaces the RESP program version 2.4 or 3.1:
http://q4md-forcefieldtools.org/REDServer-Development/resp/

This project is funded by the “Conseil Regional de Picardie” and the
“European Regional Development Fund”. It results from a joined project
between the Universite de Picardie - Jules Verne (Amiens, France) and
the Sanford-Burnham Medical Research Institute (San Diego, USA)

regards, Francois

             F.-Y. Dupradeau
                   ---
http://q4md-forcefieldtools.org/FyD/



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Received on Tue Dec 09 2014 - 01:00:02 PST