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. 2020 Jul 30;153(4):044130. doi: 10.1063/5.0014475

FIG. 8.

FIG. 8.

NAMD scaling on the Summit supercomputer shows the performance advantage of using stochastic velocity rescaling (blue line) over the Langevin damping thermostat (red line), up to 20% faster for the same number of nodes.