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Q: Selection of appropriate Langevin damping parameter for MD of solid metal

anneb101I am performing an MD simulation involving solid metal. The system is in the NVT ensemble, and I am using the Langevin thermostat (fix Langevin in LAMMPS) to enforce this. I have previously used the Langevin thermostat on ions present in an implicit solvent. The damping parameter was straightforw...

 

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