GitHub - chabi-fin/free_energy: Scripts related to free energy calculations

chabi-fin / free_energy Public

Scripts related to free energy calculations

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Name		Name	Last commit message	Last commit date
Latest commit History 3 Commits
MDP		MDP
dcm.gro		dcm.gro
equilibriate_and_run.sh		equilibriate_and_run.sh
free_energy_plots.py		free_energy_plots.py
initial_top.sh		initial_top.sh
run_job.sh		run_job.sh
verify_equilibriation.py		verify_equilibriation.py