Published April 16, 2019
| Version v1
Dataset
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Simulation of a POPE bilayer at 310K with the CHARMM36 force field
Description
A bilayer of 144 POPE lipids (72 per leaflet) simulated in water (40 molecules per lipid) for 500 ns using the CHARMM36 force field [1] using GROMACS v. 2018.6 [2]. Topologies are obtained from CHARMM-GUI [3].
[1] DOI: 10.1021/jp101759q
[2] DOI: 10.1016/j.softx.2015.06.001
[3] DOI: 10.1021/acs.jctc.5b00935
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