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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 (recommended)

    LIPID17 is the recommended force field. It is the same as LIPID14 but with added lipid functionality.

    LIPID17 Residue Names

    Acyl Chain
    Res Name
    Lauroyl (12:0)
    Myristoyl (14:0)
    Palmitoyl (16:0)
    Oleoyl (18:1 n-9)
    Stearoyl (18:0)
    Arachidonoyl (20:4)
    Docosahexaenoyl (22:6)
    LAL
    MY
    PA
    OL
    ST
    AR
    DHA
    Head Group
    Res Name
    Phosphatidylcholine
    Phosphatidylethanolamine
    Phosphatidylserine
    Phosphatidylglycerol
    Phosphaditic acid
    PC
    PE
    PS
    PGR
    PH
    Other
    Res Name
    Cholesterol
    CHL

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 Bilayers

Setting up lipid bilayer simulations can be tricky. Below are a number of resources for building lipid bilayer systems.

"How's that for maxed out?"

Last modified: Jul 24, 2021