Creation of mixed lipid bilayer: A force field development

Abstract

A mixed bilayer with 64 various lipid molecules were built and tested by the GROMACS software package modules. The force fields of mentioned 64 lipid molecules were generated using PRODRG and ATB servers and partially changed taking into account the features of lipid molecules. Simultaneously, we have created a mixed bilayer using CHARMM-GUI online generator server, which is aimed to create lipid bilayers with different lipid molecules. Note that the latter provide force fields for CHARMM input. Theresulting mixed bilayer was minimized and equilibrated for long run simulation.