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This PR fixes a bug where restarting a replica exchange simulation would restore each replica's OpenMM context and GCMC water state from its own pre-mix saved state, discarding the last round of replica exchange mixing. Since mixing occurs at the end of each cycle and the next cycle's dynamics run directly from the post-mix context, the correct state to restore is
_openmm_states[_states[i]] rather than_openmm_states[i], and similarly for the GCMC water state. This ensures that extended or restarted runs continue from exactly the same state as an uninterrupted simulation would. of repex states on restart.