Subject: NAMD 2.5b3 (Parallel MD) Release

From: Jim Phillips <jim.-at-.ks.uiuc.edu>
Date: Fri, 19 Sep 2003 18:24:45 -0500 (CDT)

Dear CCL,

NAMD is a molecular dynamics program, file compatible with X-PLOR, CHARMM,
and AMBER, scalable to hundreds of processors, and available as source
code or binaries for a variety of platforms, free of charge.  Try it out!

It's been 18 months since NAMD 2.4, so there are quite a few changes.
I'm planning to have 2.5 final out by the end of the month (when NCSA
yanks the Origin 2000s away), so please give this a good thrashing.

Thanks!

-Jim

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|                  NAMD 2.5b3 Release Announcement                   |
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                                                  September 19, 2003

The Theoretical and Computational Biophysics Group at the University of
Illinois is proud to announce the public release of a new version of
NAMD, a parallel, object-oriented molecular dynamics code designed for
high-performance simulation of large biomolecular systems.  NAMD is
distributed free of charge and includes source code.  NAMD development
is supported by the NIH National Center for Research Resources.

NAMD 2.5b3 has several advantages over NAMD 2.4:

- Improved parallel scaling and serial performance.

- Trajectory reading and interaction energy analysis.

- Improved constant pressure simulation and coordinate wrapping.

NAMD is available from http://www.ks.uiuc.edu/Research/namd/.

For your convenience, NAMD has been ported to and will be installed
on the machines at the NSF-sponsored national supercomputing centers.
If you are planning substantial simulation work of an academic nature
you should apply for these resources.  Benchmarks for your proposal
are available at http://www.ks.uiuc.edu/Research/namd/performance.html

The Theoretical and Computational Biophysics Group encourages NAMD users
to be closely involved in the development process through reporting
bugs, contributing fixes, periodical surveys and via other means.
Questions or comments may be directed to namd.-at-.ks.uiuc.edu.

We are eager to hear from you, and thank you for using our software!