Lipid14: The Amber Lipid Force Field

Lipid14: The Amber Lipid Force Field

November 27, 2013 | Callum J. Dickson, Benjamin D. Madej, Age A. Skjevik, Robin M. Betz, Knut Teigen, Ian R. Gould, and Ross C. Walker
The AMBER lipid force field has been updated to create Lipid14, enabling tensionless simulation of various lipid types using the AMBER MD package. The force field's modular nature allows for the creation of different lipid types by combining head and tail groups. The Lennard-Jones and torsion parameters of both head and tail groups have been revised, and partial charges have been calculated according to the standard AMBER convention. The force field has been validated by simulating bilayers of six different lipid types for 0.5 μs each without applying surface tension, showing favorable agreement with experimental data for properties such as area per lipid, volume per lipid, bilayer thickness, NMR order parameters, scattering data, and lipid lateral diffusion. The Lipid14 force field is compatible with other AMBER force fields for proteins, nucleic acids, carbohydrates, and small molecules.The AMBER lipid force field has been updated to create Lipid14, enabling tensionless simulation of various lipid types using the AMBER MD package. The force field's modular nature allows for the creation of different lipid types by combining head and tail groups. The Lennard-Jones and torsion parameters of both head and tail groups have been revised, and partial charges have been calculated according to the standard AMBER convention. The force field has been validated by simulating bilayers of six different lipid types for 0.5 μs each without applying surface tension, showing favorable agreement with experimental data for properties such as area per lipid, volume per lipid, bilayer thickness, NMR order parameters, scattering data, and lipid lateral diffusion. The Lipid14 force field is compatible with other AMBER force fields for proteins, nucleic acids, carbohydrates, and small molecules.
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[slides and audio] Lipid14%3A The Amber Lipid Force Field