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Testing took much longer than anticipated, but here it is finally! Highlights are below.
Changes
presto/replica_exchange.par: made a child class ofReplicaExchangecalledReplicaExchangeParallel.Additions
scripts/remd_par_manager.py: manager script for parallel REMDscripts/traj_array.py: script to run trajectories in parallel REMDscripts/remd_demux.py: utility to demultiplex REMD trajectoriesscripts/traj_cluster.py: utility to perform cluster analysis from a trajectory checkpoint filetutorial/tutorialxx: new tutorial to run parallel REMD on alanine dipeptide