Combining stochastic resetting with Metadynamics to speed-up molecular dynamics simulations

Ofir Blumer, Shlomi Reuveni, and Barak Hirshberg

Here are example input files and raw data for the results presented in the paper 'Combining stochastic resetting with Metadynamics to speed-up molecular dynamics simulations'. They include representative LAMMPS, GROMACS, and plumed input files for two model systems and a molecular system. In addition, examples for implementing resetting in Python are given for both LAMMPS and GROMACS simulations.