Name		Name	Last commit message	Last commit date
Latest commit History 9 Commits
.dvc		.dvc
config/gromacs		config/gromacs
nodes		nodes
.dvcignore		.dvcignore
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
data.dvc		data.dvc
dvc.lock		dvc.lock
dvc.yaml		dvc.yaml
env.yaml		env.yaml
main.py		main.py
params.yaml		params.yaml
zntrack.json		zntrack.json

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ips-examples

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conda install -c conda-forge acpype
gromacs installation
pip install pyedr
packmol

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Apache-2.0 license

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