Citing the py-MDMC Python code

If you use this code for your research, please cite the GitHub repository and the zenodo DOI (<https://doi.org/10.5281/zenodo.5142483>`_):

ACS

Crawford, B. and Potoff J. py-MCMD: Initial Release, <https://doi.org/10.5281/zenodo.5142483>`_, 2021.

BibTeX

@Inbook{pyMDMC_ZENODO_2021,
    author      = "Crawford, B. and Potoff J.",
    title       = "py-MCMD: Initial Release",
    year        = "2021",
    url         = "https://doi.org/10.5281/zenodo.5142483"
    doi         = "10.5281/zenodo.5142483"
}

Download as BibTeX or RIS

ACS

Crawford, B. and Potoff J. py-MCMD: A Python Library for Performing Hybrid Monte Carlo - Molecular Dynamics Simulations with GOMC and NAMD, <https://github.com/GOMC-WSU/py-MCMD>`_, 2021.

BibTeX

@Inbook{pyMDMC_GITHUB_2021,
    author      = "Crawford, B. and Potoff J.",
    title       = "py-MCMD: A Python Library for Performing Hybrid Monte Carlo - Molecular Dynamics Simulations with GOMC and NAMD",
    year        = "2021",
    url         = "https://github.com/GOMC-WSU/py-MCMD"
}

Download as BibTeX or RIS

ACS

Soroush Barhaghi, M.; Crawford, B.; Schwing, G.; Hardy D.J.; Stone, J.E.; Schwiebert L.; Potoff J.; Tajkhorshid E. py-MCMD: A Python Library for Performing Hybrid Monte Carlo - Molecular Dynamics Simulations with GOMC and NAMD, <https://pubs.acs.org/doi/10.1021/acs.jctc.1c00911>`_, 2022.

BibTeX

@Inbook{pyMDMC_PAPER_2021,
    author      = " Soroush Barhaghi, M. and Crawford, B. and Schwing, G. and Hardy D.J. and Stone, J.E. and  Schwiebert L. and Potoff J. and and Tajkhorshid E.",
    title       = "py-MCMD: A Python Library for Performing Hybrid Monte Carlo - Molecular Dynamics Simulations with GOMC and NAMD",
    year        = "2022",
    doi         = "https://doi.org/10.1021/acs.jctc.1c00911"
    url         = "https://pubs.acs.org/doi/10.1021/acs.jctc.1c00911"
}

Download as BibTeX or RIS

We also recommend citing the Concatenate DCD files (CatDCD) from the Theoretical and Computational Biophysics Group at the University of Illinois at Urbana-Champaign.

ACS

Gullingsrud J. CatDCD - Concatenate DCD files version 4.0, https://www.ks.uiuc.edu/Development/MDTools/catdcd, 2009.

BibTeX

@Inbook{CatDCD_2009,
    author      = "Gullingsrud, J.",
    title       = "CatDCD - Concatenate DCD files version 4.0",
    year        = "2009",
    url         = "https://www.ks.uiuc.edu/Development/MDTools/catdcd/"
}