Abstract

Simulations with an adaptive time-dependent bias, such as metadynamics, enable an efficient exploration of the conformational space of a system. However, the dynamic information of the system is altered by the bias. Inspired by single-molecule force spectroscopy, we developed a method based on Kramers' theory for calculating the barrier-crossing rate when a time-dependent bias is added to the system. We assess the quality of the bias parameter by measuring how efficiently the bias accelerates the transitions compared to ideal behavior.

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