Virtual Interface Exchange approximates the reweighted path ensemble from rejected pathways in a single TPS run to yield free energy and committor landscapes.
10: if the path does not connect A and B reject the trial path, retaining the previous path
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physics.chem-ph 1years
2019 1verdicts
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Approximating Free Energy and Committor Landscapes in Standard Transition Path Sampling using Virtual Interface Exchange
Virtual Interface Exchange approximates the reweighted path ensemble from rejected pathways in a single TPS run to yield free energy and committor landscapes.