dkoes / md-scripts Public

A collections of scripts for working molecular dynamics simulations

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Name		Name	Last commit message	Last commit date
Latest commit History 109 Commits
tests		tests
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
channel_analysis.py		channel_analysis.py
contacts.py		contacts.py
diversemdselect.py		diversemdselect.py
mdrmsdplot.py		mdrmsdplot.py
mstripit		mstripit
pdb_util.py		pdb_util.py
prepareamber.py		prepareamber.py
reparm_ligand.py		reparm_ligand.py
rmsdtofirst.py		rmsdtofirst.py
rmsf.py		rmsf.py
simplepdb.py		simplepdb.py
splittraj.py		splittraj.py
trajalign.py		trajalign.py
waters.py		waters.py