Gromacs

GROMACS papers

    Table of contents
    1. 1. Principal Papers
    2. 2. Other Papers

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    Principal Papers

    1. Berendsen, et al. (1995) Comp. Phys. Comm. 91: 43-56. (DOI, Citations of this paper)
    2. Lindahl, et al. (2001) J. Mol. Model. 7: 306-317. (DOI, Citations of this paper)
    3. van der Spoel, et al. (2005) J. Comput. Chem. 26: 1701-1718. (DOI, Citations of this paper)
    4. Hess, et al. (2008) J. Chem. Theory Comput. 4: 435-447. (DOI, Citations of this paper)
    5. Pronk, et al. (2013) Bioinformatics 29 845-854. (DOICitations of this paper)
    6. Páll, et al. (2015) Proc. of EASC 2015 LNCS, 8759 3-27. (DOI, arxivCitations)
    7. Abraham, et al. (2015) SoftwareX 1-2 19-25 (DOI, Citations)

     

    Other Papers

    • LJ-PME:
      • Wennberg et al. (2013) J. Chem. Theory Comput., 9 (3527–3537) (DOI)
      • Wennberg et al. (2015) J. Chem. Theory Comput., 12 (5737–5746) (DOI)
    • GROMACS benchmarking: Kutzner, et al. (2015) J. Comput. Chem.36 1990-2008 (DOI)
    • Verlet scheme: Páll & Hess (2013), Comp. Phys. Comm., 184 (2641-2650) (DOI, arxiv)

     

     

     

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