[gmx-users] A Gromacs Port of the amber LIPID17 force field

[Zhiyi Wu]

Hi Gmx user,
I have made a gromacs port of the amber LIPID17 force field and the files are available at https://zenodo.org/record/3561004.
The user can generate the lipids in amber and use it with the force field directly. Or the lipid bilayer can be generated using charms-GUI and a script charmmlipid2amber.py is provided to convert the charmm lipid to amber lipid.
This port has also retained the modular feature of the original amber LIPID17 force field, where the user can custom head group or acryl chain and generate topology with the existing head group or acryl chain via pdb2gmx. I have parametrised the phosphoinositol head group as an example.
For the details of the force field generation and validation, please refer to the GitHub page https://github.com/xiki-tempula/gmx_lipid17.ff.
Kind regards,
Zhiyi Wu
DPhil Candidate
Structural Bioinformatics and Computational Biochemistry Unit
University of Oxford
Email: Zhiyi.Wu at msdtc.ox.ac<mailto:Zhiyi.Wu at msdtc.ox.ac>.uk