Reaching multi-nanosecond timescales in combined QM/MM molecular dynamics simulations through parallel horsetail sampling

Marilia T. C. Martins-Costa, Manuel F. Ruiz-López. Reaching multi-nanosecond timescales in combined QM/MM molecular dynamics simulations through parallel horsetail sampling. Journal of Computational Chemistry, 38(10):659-668, 2017. [doi]

Abstract

Abstract is missing.