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Update README
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@BarakHirshberg
BarakHirshberg authored Nov 27, 2023
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Here are example input files 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 the implementation of resetting in Python are given for both LAMMPS and GROMACS simulations.
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.

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