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

Jim Phillips jim at ks.uiuc.edu
Tue Mar 12 12:07:01 PST 2002


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, including Scyld Beowulf, all
distributed free of charge.  Try it out!


|                                                                    |
|                   NAMD 2.4 Release Announcement                    |
|                                                                    |

                                                      March 11, 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 2.4 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/.

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!

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