Lipid membrane systems, parameter and topology files used in molecular dynamics simulations concerning influence of lipid membrane curvature on the architecture of lipid membranes described by different force fields.

Dataset for publication: “Exploring the Properties of Curved Lipid Membranes: Comparative Analysis of Atomistic and Coarse-Grained Force Fields”.Zip file contains folders (separate folders for each considered force fields: Martini3, Martini2, Amber Lipid21, Charmm36m) in which input files for molecular dynamics simulations of considered curved lipid systems can be found. In folders there are files that are needed to reproduce molecular dynamics simulations described in the related publication.files with simulated system structure (.gro file) - containing water, ions and curved (sinusoidal in shape) lipid membrane composed of POPC moleculesfiles with molecular dynamics parameters (*mdp files) necessary to conduct MD simulations with a specifically curated parameters, that allow for the curved shape to be maintainedfiles containing information about topology of the simulated system in specific, chosen force field (toppar/ folder)index file (*ndx) with indexes of the atoms in the simulated systemsAll files can be opened using a text editor.