Breaking News
|
NAMD 3.0b7 Release
-
GPU-resident mode now calculates meaningful averages for energy,
temperature, and pressure. Improves HIP performance.
Fixes use of GPU atom migration with advanced features.
Supports vdW force switching for GPU-based alchemy.
Fixes some race conditions and calculation issues for
GPU-based alchemy.
|
Spotlight: Ten Years of NAMD (Oct 2005)
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344.8KB
Olga Svinarski and
VMD
It was 1995 when
NAMD
was introduced
(
Nelson
et
al.
)
as a parallel molecular dynamics code enabling interactive simulation
by linking to the visualization code
VMD
.
In 1999 a major improvement was accomplished in NAMD 2
(
Kalé
et al.
),
scaling to 200 processors at the time due to the efforts and software of
the
Parallel Programming Lab
.
NAMD has since matured, adding many features and scaling to thousands of
processors, garnering accolades and users in the process.
This progress is now collected in a
NAMD review paper
that presents,
in a manner accessible to the novice researcher
,
the concepts and algorithms behind NAMD,
features for steered and interactive MD and for free energy calculation,
the elements of the NAMD design that enable parallel scaling,
performance comparisons of a variety of platforms,
and advice for productive use of NAMD on modern research projects.
Case studies ranging from the typical to the elaborate demonstrate the
capabilities and flexibility of NAMD.
This new reference provides an excellent foundation for working through
the extensive NAMD
tutorials
, either on your own
or at a
hands-on workshop
.
Overview
Why NAMD?
(in pictures)
How to Cite NAMD
Features and Capabilities
Performance Benchmarks
Publications
and
Citations
Credits and Development Team
Availability
Read the License
Download NAMD Binaries
(also
VMD
)
Build from Source Code
- Git access now available
Run at
NCSA
,
SDSC
,
NICS
, or
Texas
Training
NAMD Developer Workshop in Urbana
(August 19-20, 2019)
PRACE School on HPC for Life Sciences
(June 10-13, 2019)
"Hands-On" Workshop in Pittsburgh
(May 13-17, 2019)
Charm++ Workshop in Urbana
(May 1-2, 2019)
Enhanced Sampling and Free-Energy Workshop
(Sept 10-14, 2018)
NAMD Developer Workshop in Urbana
(June 11-12, 2018)
"Hands-On" Workshop in Pittsburgh
(May 21-25, 2018)
"Hands-On" QM/MM Simulation Workshop
(April 5-7, 2018)
Older "Hands-On" Workshops
Support
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