[gmx-users] forcefields for lipids

Joakim Jämbeck jambeck at me.com
Tue May 22 13:20:21 CEST 2012


have a look at out recently developed all-atom force field.

It is compatible with AMBER force fields for proteins (ff99SB, ff99SB-ILDN and ff03). 

The compatibility was tested via microsecond simulations of a peptide embedded in a bilayer. The paper describing the peptide simulations along with an extension of the parameter set has been submitted, but for now have a look at this published paper:

J. Phys. Chem. B, 2012, 116 (10), 3164-3179, doi: 10.1021/jp212503e

All our parameters are available at on Lipidbook. Let me know if you need anything else!


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