Before revision: The performance of biomolecular molecular dynamics (MD) simulations has steadily increased on modern high performance computing (HPC) resources but acceleration of the analysis of the output trajectories has lagged behind so that analyzing simulations is increasingly becoming a bottleneck.
After revision: The performance of biomolecular molecular dynamics (MD) simulations has steadily increased on modern high performance computing resources but acceleration of the analysis of the output trajectories has lagged behind so that analyzing simulations is increasingly becoming a bottleneck.