- MM_base: Libraries for running basic molecular dynamics (MD) simulations in OpenMM
- Fixed_Voltage_OpenMM: Libraries for simulating an electrode/electrolyte interface under applied voltage
- QM/MM/MD: Libraries for fantastic QM/MM dynamics code written by John Pederson using Psi4 and OpenMM
- WHAM: Implementations of the Weighted Histogram Analysis Method (WHAM) in 1D and 2D
- Well-sliced Metadynamics Reweighting: Code for reweighting biased simulations incorporating combined metadynamics and umbrella sampling
Folders and files
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