NAMD 2.8b2 released

From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Wed May 11 2011 - 17:15:43 CDT

Hi all,

NAMD 2.8b2 is now available for download. This beta release fixes several
issues with 2.8b1, including a serious memory leak in trajectory output.

We are hoping to ship a final 2.8 release in a few weeks, so please test
2.8b2 soon to help catch any remaining issues. Thank you as always for
your support of NAMD development.

-Jim

(The only think new below is the date and version number.)

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| NAMD 2.8b2 Release Announcement |
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                                                          May 12, 2011

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 2.8b2 has many advantages over NAMD 2.7, among these are:

- Generalized Born implicit solvent model

- Accelerated molecular dynamics method

- MARTINI residue-based coarse-grain forcefield

- Non-uniform grids in grid forces

- Symmetry and domain restraints

- Collective variables module improvements

- Force output and trajectory files

- Shared-memory single-node and multiple-node builds

- Measurement-based grain-size adjustment in load balancer

- Experimental memory-optimized version with parallel I/O

- Microsoft Windows HPC Server port and released binaries

- Support for NBFIX parameters in CUDA builds

- Enhanced performance and scalability

Details at http://www.ks.uiuc.edu/Research/namd/2.8/features.html

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!

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