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

FyD fyd at q4md-forcefieldtools.org
Tue Dec 9 09:48:10 CET 2014

Dear All,

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

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:

Documentation has been updated:

New tutorials are available at:
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:

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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