ruanyangry / gromacs-free-energy-calculation
This repository contained python code used to do organic free energy calculation. Reference: http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/free_energy/index.html; https://github.com/ruanyangry/gromacs-lammps-process-simulation.
☆10Updated 6 years ago
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