dihedral_fitter

Dihedral fitter is a tool that automates fitting the torsional energy coefficients for Molecular Dynamics simulations.

Name		Name	Last commit message	Last commit date
Latest commit History 27 Commits
conventions		conventions
dihedral_fitter		dihedral_fitter
test		test
test_data/reader		test_data/reader
.gitignore		.gitignore
.travis.yml		.travis.yml
LICENSE		LICENSE
Makefile		Makefile
README.md		README.md
requirements.txt		requirements.txt

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