NAMD implements standard MD capabilities (variety of integrators, thermostats, barostats, force field compatibility, PME electrostatics, timestep integration, replica exchange, free energy calculations, etc.).
Benchmark
NAMD 2.11 benchmark at Collserola
Actual speed-up (green) and ideal speed-up (blue) vs. number of cores for the standard NAMD benchmark, ApoA1.
Please note that employing the Xeon Phi coprocessor for offload acceleration provides 1-3x speed-up when compared with CPU-only runs.