TCB Publications - Abstract

Mohammad Soroush Barhaghi, Brad Crawford, Gregory Schwing, David J. Hardy, John E. Stone, Loren Schwiebert, Jeffrey Potoff, and Emad Tajkhorshid. py-MCMD: Python software for performing hybrid monte carlo/molecular dynamics simulations with GOMC and NAMD. Journal of Chemical Theory and Computation, 18:4983-4994, 2022.

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