molmdl / md-scripts Public

forked from dkoes/md-scripts

A collections of scripts for working molecular dynamics simulations

Notifications

Name		Name	Last commit message	Last commit date
Latest commit History 112 Commits
tests		tests
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
abfe.py		abfe.py
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