|
GROMACS papers
Principal Papers
- Berendsen, et al. (1995) Comp. Phys. Comm. 91: 43-56. (DOI, Citations of this paper)
- Lindahl, et al. (2001) J. Mol. Model. 7: 306-317. (DOI, Citations of this paper)
- van der Spoel, et al. (2005) J. Comput. Chem. 26: 1701-1718. (DOI, Citations of this paper)
- Hess, et al. (2008) J. Chem. Theory Comput. 4: 435-447. (DOI, Citations of this paper)
- Pronk, et al. (2013) Bioinformatics 29 845-854. (DOI, Citations of this paper)
- Páll, et al. (2015) Proc. of EASC 2015 LNCS, 8759 3-27. (DOI, arxiv, Citations)
- 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)
- Verlet scheme: Páll & Hess (2013), Comp. Phys. Comm.,184 2641-2650 (DOI, arxiv)
- GROMACS benchmarking:
|