[gmx-users] Empirical force fields: release of R.E.D. Server Dev./PyRED Nov. 2014
fyd at q4md-forcefieldtools.org
Tue Dec 9 09:48:10 CET 2014
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)
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