[gmx-users] Empirical force fields: release new version of RED Server Dev/PyRED
fyd at q4md-forcefieldtools.org
Mon May 5 13:05:53 CEST 2014
Dear Gromacs Users,
In the context of a joined French-USA research project between the
Universite de Picardie - Jules Verne and the Sanford|Burnham Medical
Research Institute I am pleased to announce the release of the May
2014 version of the RED Python program, or PyRED, interfaced by R.E.D.
Server Development at q4md-forcefieldtools.org:
R.E.D. Server Development is a service designed to generate force
field parameters and build force field libraries for new
molecules/molecular fragments. This Internet site provides the
software and hardware resources required for the generation of AMBER
and GLYCAM type empirical force fields, that can be used by
computational biologists involved in force field based structural
studies. CHARMM and OPLS force fields can also be targeted by applying
All researchers from the academic world and from private laboratories
can use R.E.D. Server Development, and registration to use R.E.D.
Server Development is not mandatory.
PyRED was presented at the 247th ACS National Meeting in Dallas (TX,
USA) last March 2014:
New documentation is available at:
Frequently asked questions:
A new tutorial is now available:
Users of the R.E.D. III.x tools and of R.E.D. Server (interface of the
Ante_RED 2.0 and R.E.D. IV program) are strongly encouraged to switch
to R.E.D. Server Development/PyRED.
Funding of this project is provided by the Conseil Regional de
Picardie and the European Regional Development Fund.
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