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NAMD

Overview

NAMD is a molecular dynamics application designed specifically for the simulation of large biomolecular systems using modern parallel architectures. NAMD was developed by the Theoretical and Computational Biophysics Group in the Beckman Institute for Advanced Science and Technology at the University of Illinois at Urbana-Champaign using object-oriented techniques. NAMD can read X-PLOR, CHARMM, AMBER, and GROMACS input files.

HPCx has currently NAMD 2.6 installed

Accessing NAMD

HPCx users may access NAMD. To access this packages you should mail the HPCx help desk and we will give you access to the executable.

NAMD was the first code on the service to receive a capability discount for outstanding scalability. Its present rating is at the Gold level, making NAMD calculations egligible for a discount of 30% when running on 1024 processors. Users from projects not yet set up for a NAMD discount should contact the HPCx help desk.

NAMD documentation

The NAMD userguide is available from the NAMD web-page