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These pages discuss how to run simultaneous simulations of more than one system with various programs. Multi-simulations can be carried out either using the multi-processor (MPI-enabled) versions of mcSim or mdSim, in which each system is simulated on a single processor, or using ddSim, which can assign different groups of processors to different simulations.

The discussion of multi-system simulations in mcSim and mdSim also discusses the use of free energy perturbations (to define a sequence of systems with slightly different parameters) and replica exchange simulations. These features are not yet enabled for multi-system ddSim simulations.

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