GitHub - wagleswapnil/waterNES: WaterNES protocol update | Collab work followed after Ge et al. JCTC 2022

wagleswapnil / waterNES Public

WaterNES protocol update | Collab work followed after Ge et al. JCTC 2022

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Name		Name	Last commit message	Last commit date
Latest commit History 5 Commits
__pycache__		__pycache__
analysis-v3-jan17.py		analysis-v3-jan17.py
analysis.py		analysis.py
analysistest_dist.pickle		analysistest_dist.pickle
calculate_free_energy.py		calculate_free_energy.py
check_water_positions.py		check_water_positions.py
dhdl_legends.py		dhdl_legends.py
input.inp		input.inp
plot_distances.py		plot_distances.py
processing_data.py		processing_data.py
reading_file.py		reading_file.py
test.py		test.py
utils.py		utils.py