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



 Sent to CCL by: FyD [fyd**q4md-forcefieldtools.org]
 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
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 http://q4md-forcefieldtools.org/FyD/