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High Performance Software

NAMD

namd

DESCRIPTION

NAMD (NAnoscale Molecular Dynamics) is a parallel molecular dynamics program, developed at the University of Illinois at Urbana-Champaign, for UNIX platforms designed for high-performance simulations in structural biology. NAMD features parallel efficiency and it is often used to simulate large systems (millions of atoms). It was introduced in 1995 by Nelson et al. as a parallel molecular dynamics code enabling interactive simulation by linking to the visualization code VMD. NAMD has since matured, adding many features and scaling to thousands of processors.

USAGE

Batch Use:

submit_namd [job_name]

where job_name.conf is the configure file containing the names of structure, parameters and pdb files

LICENSE INFORMATION

For information on supported platforms, versions and licenses, please check the AFRL DSRC Software Page:
http://www.afrl.hpc.mil/software/

VENDOR LINKS

NAMD Home Page