N.B.: If you use the following files in your work, please cite the primary source. (see Description field)
| Name: | opls-aa Rog2016 |
| Type: | All atom |
| Files: | opls-aa_Rog2016.ff.zip , opls-aa_Rog2016.par.zip |
| Software: | Gromacs 4.5, 4.6, 5.0, 5.1, 2016 |
| Description: | Primary source: https://www.sciencedirect.com/science/article/pii/S2352340916301755?via%3Dihub OPLSaa.db has been wrap in the oplsaa.ff gromacs directory |
| References: |
Róg2016
Data in Brief, 7.
Data including GROMACS input files for atomistic molecular dynamics simulations of mixed, asymmetric bilayers including molecular topologies, equilibrated structures, and force field for lipids compatible with OPLS-AA parameters Róg2015 Biochimica et Biophysica Acta (BBA) - Biomembranes, 1858. Interdigitation of long-chain sphingomyelin induces coupling of membrane leaflets in a cholesterol dependent manner Kulig2015 Chemistry and Physics of Lipids, 195. Cis and trans unsaturated phosphatidylcholine bilayers: A molecular dynamics simulation study Kulig2015b Data in Brief, 5. Topologies, structures and parameter files for lipid simulations in GROMACS with the OPLS-aa force field: DPPC, POPC, DOPC, PEPC, and cholesterol Maciejewski2014 The Journal of Physical Chemistry B, 118. Refined OPLS All-Atom Force Field for Saturated Phosphatidylcholine Bilayers at Full Hydration |