This directory contains examples of various path sampling approaches as applied to both toy models and simple real systems (mostly solvated alanine dipeptide).

• alanine_dipeptide_tps: Transition path sampling (both fixed length and flexible length) on alanine dipeptide as a 2-state system. Compare with Bolhuis, Dellago, Chandler PNAS 2000.
• alanine_dipeptide_mstis: Multiple state transition interface sampling (including both multiple replica and single replica approaches) for alanine dipeptide as a 6-state system. Compare with Du, Marino, Bolhuis JCP 2011.
• toy_model_mstis: Multiple state transition interface sampling (including both multiple replica and single replica approaches) for a simple 3-state 2D model.
• toy_model_mistis: Multiple interface set transition interface sampling for a simple 3-state model.
• tests: Tests of various OpenPathSampling modules
• misc: Miscellaneous example code
• resources: Additional files used by the examples (initial PDB structures, logging configurations, etc)