Figure 1.

Residual accelerations on atoms observed in Langevin dynamics. Langevin forces on individual atoms were summed over steps of a molecular dynamics run of the Trp-Cage miniprotein using collision frequency 3 ps⁻¹ and a bath temperature of 298 K. Averaging the forces over N previous steps gives a value for the residual force on that atom, a quantity which tends to zero as 1/√N. Residual forces on each atom were normalized by the atom’s mass to give accelerations. The black line shows average residual acceleration for all atoms; circles show the values expected from eq 5.