[gmx-users] forcefields for lipids

Thomas Piggot t.piggot at soton.ac.uk
Tue May 22 14:49:48 CEST 2012

Hi Joakim,

I am interested to know what other lipids this force field has been 
extended to include. Do you have parameters for unsaturated lipid tails 
and other classes of phospholipid (such as PE and PG)?



Joakim Jämbeck wrote:
> Hi,
> 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!
> Best,
> J

Dr Thomas Piggot
University of Southampton, UK.

More information about the gromacs.org_gmx-users mailing list