From owner-chemistry:~at~:ccl.net Tue Dec 9 07:40:01 2014 From: "FyD fyd * q4md-forcefieldtools.org" To: CCL Subject: CCL: Empirical force fields: release of R.E.D. Server Dev./PyRED Nov. 2014 Message-Id: <-50807-141209033628-6071-oZK/3J9WR4n2ph98FALhQQ|,|server.ccl.net> X-Original-From: FyD Content-Disposition: inline Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1; DelSp="Yes"; format="flowed" Date: Tue, 09 Dec 2014 09:36:18 +0100 MIME-Version: 1.0 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 --- http://q4md-forcefieldtools.org/FyD/