Published January 16, 2020 | Version 0.3
Dataset Open

GMX_lipid17.ff: Gromacs Port of the amber LIPID17 force field

Authors/Creators

  • 1. University of Oxford

Description

This is a Gromacs port of the amber LIPID17 force field. To use this force field, the user can construct the lipid bilayer using Charmm-GUI and convert the atom names to the amber atom names using charmmlipid2amber.py. This port has also retained the modular feature of the LIPID17 force field, where the user can customise the head group or acryl chain and use pdb2gmx to construct the topology.

The coordinate files for the amber lipids can also be obtained from the `gro` folder. The force field `lipid17.ff`, itp file `lipid17.itp` and a custom PI head group are all included in the attached compressed file. For the details of the generation and validation protocol, please consult the relevant Github page.

Notes

This version fixed a conversion error with OL.

Files

gmx_lipid17.ff.zip

Files (2.2 MB)

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Additional details

Related works

Is supplement to
Dataset: https://github.com/xiki-tempula/gmx_lipid17.ff (URL)

Funding

Wellcome Trust
Oxford - OXION 203741

References

  • Gould, I.R., Skjevik A.A., Dickson, C.J., Madej, B.D., Walker, R.C., "Lipid17: A Comprehensive AMBER Force Field for the Simulation of Zwitterionic and Anionic Lipids", 2018, in prep
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