ParMetaD

GPU Parallelizable Metadynamics simulations enabled by the WESTPA framework. Currently made to work with GPUMD, AMBER and OpenMM

Name		Name	Last commit message	Last commit date
Latest commit History 27 Commits
AMBER_files		AMBER_files
OpenMM_files		OpenMM_files
bstates		bstates
common_files		common_files
westpa_scripts		westpa_scripts
AMBER_files.zip		AMBER_files.zip
LICENSE		LICENSE
README.md		README.md
data_extract.py		data_extract.py
env.sh		env.sh
init.sh		init.sh
node.sh		node.sh
nodefilelist.txt		nodefilelist.txt
run_WE.sh		run_WE.sh
run_data.sh		run_data.sh
simtime.py		simtime.py
tstate.file		tstate.file
west.cfg		west.cfg

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