chapter  5
NAMD: Scalable Molecular Dynamics Based on the Charm++ Parallel Runtime System
ByBilge Acun, Ronak Buch, Laxmikant Kale, James C. Phillips
Pages 26

Nanoscale Molecular Dynamics (NAMD) is a scalable molecular dynamics (MD) application designed for high-performance atomic-level simulation of large biomolecular systems at a femtosecond time step resolution [1]. Used by tens of thousands of scientists—85,000 users since 2000—on everything from laptops and desktops to supercomputers and graphical processing units (GPUs) (even iPads!), NAMD has enabled significant breakthroughs in understanding the structure and the behavior of viruses and cellular organelles.