From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Tue Dec 09 2014 - 02:43:22 CST
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/
This archive was generated by hypermail 2.1.6 : Thu Dec 31 2015 - 23:21:27 CST