Amber masthead
Filler image AmberTools22 Amber22 Manuals Tutorials Force Fields Contacts History
Filler image

Useful links:

Amber Home
Download Amber
Installation
Amber Citations
GPU Support
Updates
Mailing Lists
For Educators
File Formats
 

Lipids Force Fields

For a full description of the force fields and how to load them, please read Chapter 3 of the Amber Reference Manual.

LIPID21 (recommended)

    LIPID21 is the latest and recommended lipid force field. It extends upon the LIPID14 and LIPID17 force fields and is described in Dickson, C.J., Walker, R.C., Gould, I.R. Lipid21: Complex Lipid Membrane Simulations with AMBER, JCTC, 2022. LIPID21. LIPID21 is included in the upcomming AmberTools22 release.

    For use with earlier versions of AMBER the force field files can be downloaded using the following links:

    Place these files in AMBERHOME/dat/leap/parm, AMBERHOME/dat/leap/lib and AMBERHOME/dat/leap/cmd, respectively.

    LIPID21 Residue Names

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

LIPID14

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 22, 2022