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NAMD

Supported Platforms

Linux, Mac OSX, Windows

Supported Data Formats

AMBER, AMBER 'binpos' trajectory reader (.binpos), AMBER "CRD" trajectory reader (.crd, .crdbox), AMBER 4-6 structure file(.parm), AMBER 7-9 restart file(.rst7), AMBER 7-9 structure file(.prmtop, .parm7), AMBER NetCDF trajectory reader (.nc), CHARMM, CHARMM coordinate file (.crd), CHARMM, CNS, NAMD, X-PLOR PSF structure file (.psf), CHARMM, NAMD, X-PLOR "DCD" reader/writer (.dcd), CNS or XPLOR density map, X-PLOR, CNS format electron density map reader (.cns, .edm, .xplor)

Resource Description

NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. Based on Charm++ parallel objects, NAMD scales to hundreds of cores for typical simulations and beyond 200,000 cores for the largest simulations.

Tags

CUDA, Molecular Simulation