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. Author manuscript; available in PMC: 2010 Mar 10.
Published in final edited form as: J Chem Theory Comput. 2009 Mar 10;5(3):627–640. doi: 10.1021/ct800397z

Figure 11.

Figure 11

Diffusion in temperature replica space of REMD vs MREMD: combined plots of temperature as a function of time for all replicas for (a) REMD with 30 temperatures, (b) MREMD with 30 temperatures and multiplexing of 8 replicas per temperature, for a total of 240 replicas, (c) REMD with 240 temperatures, and (d) REMD with 240 temperatures and 10 times more frequent exchanges between replicas.