Lipid membrane systems and parameter and topology files used in molecular dynamics simulations concerning redistribution of cholesterol between lateral domains.

Dataset for publication: "Dehydration of lipid membrane drives redistribution of cholesterol between lateral domains".Zip file contains folders (separate folders for systems of different lipid composition, eg. DRPC_CHOL for membrane composed of DRPC and CHOL molecules and PSM_CHOL for membrane composed of PSM and CHOL molecules) in which input files for molecular dynamics simulations of considered 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 and lipid membranefiles with molecular dynamics parameters (*mdp files) necessary to conduct MD simulations with a specifically curated parametersfiles 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 systemsREADME file - with commands needed for execution of MD simulationsAll files can be opened using a text editor.