Transition State Benchmarks

Archives containing our transition state benchmarks used for testing different interpolation schemes and probing the global kinetic property of the potential energy surface for two text systems, GNNQQNY and the tryptophan zipper 1 (trpzip) for CHARMM and AMBER can be found here:

Each directory contains three subdirectories, where the name indicates the number of transition states by which the endpoints should be connected. Each of these contain 150 directories chosen randomly from out database with a starting and final endpoint. Examples of how to run these can be found here.

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