This project aims to run the binding free energy estimator (BFEE2) protocol with OpenMM_Plumed and the native OpenMM.
ndonyapour/BFEE2_OpenMM
Free energy calculations by running OpenMM simulations with BFEE2 protocol
Jupyter Notebook
Free energy calculations by running OpenMM simulations with BFEE2 protocol
Jupyter Notebook
This project aims to run the binding free energy estimator (BFEE2) protocol with OpenMM_Plumed and the native OpenMM.