Add to ORKGNAMD is a parallel, object-oriented molecular dynamics program designed for high performance simulation of large biomolecular systems. NAMD employs the prioritized message-driven execution capabilities of the Charm++/Converse parallel runtime system, allowing excellent parallel scaling on both massively parallel supercomputers and commodity workstation clusters. This paper discusses the techniques which have allowed NAMD to effectively employ over one thousand processors in production simulations of biomedical relevance.
The ability to perform long, accurate molecular dynamics (MD) simulations involving proteins and oth...
NAMD computes atomic trajectories by solving the equations of motion numerically using empirical for...
. Parallel languages are tools for constructing efficient application programs, while reducing the r...
NAMD is a parallel, object-oriented molecular dynamics program designed for high perfor-mance simula...
NAMD is a portable parallel application for biomolecular simulations. NAMD pioneered the use of hybr...
Abstract NAMD is a fully featured, production molecular dynamics program for high performance simula...
We present an optimized parallelization scheme for molecular dynamics simulations of large biomolecu...
NAMD is a scalable molecular dynamics application, which has demonstrated its performance on several...
A 100-million-atom biomolecular simulation with NAMD is one of the three benchmarks for the NSF-fund...
NAMD benchmarks were done on five different proteins with varying system sizes (anoplin, kalata B1, ...
Molecular Dynamics (M.D.) simulation is a widely used computational technique to study the propertie...
Contained herein are scripts for making all-atom models of a Rhodobacter sphaeroides chromatophore. ...
Molecular dynamics (MD) is a powerful computer simulation technique providing atomistic resolution a...
The NAMD User’s Guide describes how to run and use the various features of the molecular dynamics pr...
Abstract—Special-purpose computing hardware can provide significantly better performance and power e...
The ability to perform long, accurate molecular dynamics (MD) simulations involving proteins and oth...
NAMD computes atomic trajectories by solving the equations of motion numerically using empirical for...
. Parallel languages are tools for constructing efficient application programs, while reducing the r...
NAMD is a parallel, object-oriented molecular dynamics program designed for high perfor-mance simula...
NAMD is a portable parallel application for biomolecular simulations. NAMD pioneered the use of hybr...
Abstract NAMD is a fully featured, production molecular dynamics program for high performance simula...
We present an optimized parallelization scheme for molecular dynamics simulations of large biomolecu...
NAMD is a scalable molecular dynamics application, which has demonstrated its performance on several...
A 100-million-atom biomolecular simulation with NAMD is one of the three benchmarks for the NSF-fund...
NAMD benchmarks were done on five different proteins with varying system sizes (anoplin, kalata B1, ...
Molecular Dynamics (M.D.) simulation is a widely used computational technique to study the propertie...
Contained herein are scripts for making all-atom models of a Rhodobacter sphaeroides chromatophore. ...
Molecular dynamics (MD) is a powerful computer simulation technique providing atomistic resolution a...
The NAMD User’s Guide describes how to run and use the various features of the molecular dynamics pr...
Abstract—Special-purpose computing hardware can provide significantly better performance and power e...
The ability to perform long, accurate molecular dynamics (MD) simulations involving proteins and oth...
NAMD computes atomic trajectories by solving the equations of motion numerically using empirical for...
. Parallel languages are tools for constructing efficient application programs, while reducing the r...