ParamELBA

Set of tools to parameterise the molecules for the ELBA force field

Name		Name	Last commit message	Last commit date
Latest commit History 13 Commits
.gitignore		.gitignore
README.md		README.md
anal_bondang.py		anal_bondang.py
anal_order.py		anal_order.py
elba.xml		elba.xml
elbalib.py		elbalib.py
generate_gmxbonded.py		generate_gmxbonded.py
generate_guess.py		generate_guess.py
generate_lmpinput.py		generate_lmpinput.py
gmxlib.py		gmxlib.py
martini.xml		martini.xml
martini_alt.xml		martini_alt.xml
md_aaorder.py		md_aaorder.py
md_bondang.py		md_bondang.py
md_order.py		md_order.py
mdlib.py		mdlib.py
tocg.py		tocg.py

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