Lipids Force Fields
For a full description of the force fields and how to load them, please read Chapter 3 of the Amber 2021 Reference Manual.
LIPID17 is the recommended force field. It is the same as LIPID14 but with added lipid functionality.
LIPID17 Residue Names
Oleoyl (18:1 n-9)
- This paper describes the
lipids model in Amber, lipid14.
Pantethine Force Field
- Pantethine Force Field (PFF) Library is
a force field parameter library for pantetheine-containing ligands (PCLs), including the
derivatives of coenzyme A (CoA), standalone phosphopantetheine (Ppant) and phosphopantetheinyl
serine (Ppant-Ser). See this paper
for detailed explanations.
Setting up Simulations with Lipid BilayersSetting up lipid bilayer simulations can be tricky. Below are a number of resources for building lipid bilayer systems.
- CHARMM-GUI Video Tutorials.
- Tutorial 1.7 An Amber Lipid Force Field Tutorial: Lipid14
- Beginning in Amber18, packmol-memgen was included into the list of available software, allowing the user to generate membrane systems in a simple and automated way. See Section 13.6 of the Amber 2021 Reference Manual.