Information
Purpose: Molecular Dynamics
Latest version: 2.12
License: Mixed - Free for non-commercial users
Website: http://www.ks.uiuc.edu/Research/namd/
NAMD is a molecular dynamics package
NAMD implements standard MD capabilities (variety of integrators, thermostats, barostats, force field compatibility, PME electrostatics, timestep integration, replica exchange, free energy calculations, etc.).
Benchmark
SLURM Submit script example
For more information use the Job Script Generator.