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. Author manuscript; available in PMC: 2021 Jul 30.
Published in final edited form as: J Phys Chem B. 2020 Jul 15;124(30):6555–6564. doi: 10.1021/acs.jpcb.0c04565

Figure 2:

Figure 2:

A schematic diagram of the RET approach. The new configuration R2** on replica 1 has after re-scaling of velocities the same total energy as the old configuration R1*. While evolving to the state R2# potential and kinetic energies interconvert, symbolically noted by the shift in color. In a similar way the configurations R1** and R2* on replica 2 have the same energy, and R1** evolves to R1#.