Virtual Interface Exchange approximates the reweighted path ensemble from rejected pathways in a single TPS run to yield free energy and committor landscapes.
choosing anew from Maxwell Boltzmann distribution, or do random isotropic move) and integrate forward and backward in time until stable states A or B are reached
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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.