Subject: Announce: Amber 5.0 is available

From: David Case <[email-masked]>
Date: Fri, 31 Oct 1997 10:03:48 -0800

It gives us great pleasure to announce the release of AMBER 5.0.  This code
is a joint effort of the Kollman group at UCSF, the Case group at The
Scripps Research Institute, David Pearlman at Vertex, the Merz group at
Pennsylvania State University, Tom Darden at NIEHS, and David Ferguson
at the University of Minnesota.

As in the past, this version of AMBER will be jointly supported by Oxford
Molecular (OM) as well as by the various authors.  Oxford Molecular will
offer commercial-level support and update services and the option of
bundling AMBER with their other complementary software.

AMBER 5.0 (1997) represents a significant change from the most recent
previous version, 4.1, which was released in 1995.  Briefly, the major
differences include:

(1) an updated and parallelized implementation of the particle-mesh Ewald
routine, and its incorporation into the free energy module;

(2) "locally-enhanced sampling" (LES) code that allows parts of the system
to be present as multiple copies;

(3) an alternate version of Sander (ROAR) that includes the ability to
define part of the system as a quantum-mechanical section (QM/MM), and
includes alternate integrators;

(4) PROFEC (pictorial representation of free energy changes), a set of tools
for carrying out and displaying extrapolative free energy changes;

(5) new and parallelized methods for NMR refinement; incorporation of penalites
based on pseudocontact shifts.

(6) updates to the functionality and stability of LEaP.

If you are interested in obtaining a copy of AMBER 5.0, please contact
Oxford Molecular at one of the following sites:

         USA:
                   Toll Free:  1-800-876-9994
                   phone (408) 879-6300   fax (408) 879-6302
                   e-mail: [email-masked]

         UK:       phone  +44 1865 784600 fax +44 1865 784601
                   e-mail:  [email-masked]

Thank you for your interest and continued support.