adaptive_sampling

Implementation contained in "How effectively can adaptive sampling methods capture spontaneous ligand binding"

Dependencies

beak vmd-python

Name		Name	Last commit message	Last commit date
Latest commit History 2 Commits
beak @ e051e50		beak @ e051e50
vmd-python @ e516075		vmd-python @ e516075
.gitignore		.gitignore
.gitmodules		.gitmodules
LICENSE		LICENSE
README.md		README.md
check_all.py		check_all.py
check_one.py		check_one.py
checker.py		checker.py
cluster_means.py		cluster_means.py
controller.py		controller.py
generate_simulation.sh		generate_simulation.sh
inpcrd_generator.py		inpcrd_generator.py
ligand_adder.py		ligand_adder.py
sampler.example.cfg		sampler.example.cfg
scaler.py		scaler.py