Provided by University of Illinois at Urbana-Champaign - a molecular dynamics and mechanics simulations package for studying dynamic phenomena and bulk properties of large molecular systems
Features & Capabilities
Recipient of a 2002 Gordon Bell Award, NAMD is a parallel molecular dynamics and mechanics code designed for high-performance simulation of large molecular systems and performs several computational tasks such as geometry optimization, molecular dynamics (within several ensembles) for periodic and non-periodic systems.