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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 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:

  • lipid21.dat
  • lipid21.lib
  • leaprc.lipid21
  • 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: May 12, 2022