MoSDeF-dihedral-fit: A lightweight software for fitting dihedrals within MoSDeF

Python Submitted 17 May 2024 • Published 06 December 2024
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Authors

Brad Crawford (0000-0003-0638-7333), Co D. Quach (0000-0002-1255-4161), Nicholas C. Craven (0000-0002-4607-4377), Christopher R. Iacovella (0000-0003-0557-0427), Clare McCabe (0000-0002-8552-9135), Peter T. Cummings (0000-0002-9766-2216), Jeffrey J. Potoff (0000-0002-4421-8787)

Citation

Crawford et al., (2024). MoSDeF-dihedral-fit: A lightweight software for fitting dihedrals within MoSDeF. Journal of Open Source Software, 9(104), 6970, https://doi.org/10.21105/joss.06970

@article{Crawford2024, doi = {10.21105/joss.06970}, url = {https://doi.org/10.21105/joss.06970}, year = {2024}, publisher = {The Open Journal}, volume = {9}, number = {104}, pages = {6970}, author = {Brad Crawford and Co D. Quach and Nicholas C. Craven and Christopher R. Iacovella and Clare McCabe and Peter T. Cummings and Jeffrey J. Potoff}, title = {MoSDeF-dihedral-fit: A lightweight software for fitting dihedrals within MoSDeF}, journal = {Journal of Open Source Software} }
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Molecular simulations Molecular mechanics Molecular dynamics Monte Carlo Quantum mechanics dihedral fitting torsion fitting force field MoSDeF GOMC MoSDeF-GOMC

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