Description

Nanoscale Molecular Dynamics (NMD) is a parallel molecular dynamics code designed for biomolecular systems. It enables users to manage friction terms with Gaussian noise, optimize the reconcile observed structure with a force field, determine molecular conformation, electronic properties and binding energies, analyze and evaluate observables (macroscopic level properties), as well as accomplish parallel supercomputers and commodity workstation clusters. Features include CHARMM and X-PLOR, DNA sequencing chip integration, performance management, message-driven execution capability, timescale analysis, and discretization capability.