[Beowulf-announce] NAMD 2.4b2 (Parallel MD) Release

[Jim Phillips]

Hi,

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!

-Jim


+--------------------------------------------------------------------+
|                                                                    |
|                  NAMD 2.4b2 Release Announcement                   |
|                                                                    |
+--------------------------------------------------------------------+

                                                   February 22, 2002

The Theoretical 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 2.4b2 has several advantages over NAMD 2.3:

- Greatly improved parallel scaling with particle mesh Ewald.

- Locally enhanced sampling via multiple non-interacting images.

- Alchemical free energy perturbation for mutation, ligands, etc.

- GROMACS ASCII topology and coordinate input file compatibility.

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

"Biomedical Applications of Molecular Dynamics on the TeraGrid", a
three-day NAMD users workshop co-sponsored by NCSA, will be held
April 17-19 in Urbana, Ilinois and broadcast on the Access Grid.
See http://www.ncsa.uiuc.edu/Divisions/eot/training/NAMD/ for more
information.  The deadline for registration is March 7, 2002.

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 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!