Ternary lipid composition in a curved geometry
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Simulations of ternary DLiPC/DPPC/cholesterol membranes in a budded geometry with Gaussian curvature. Five replicas. Simulations were performed using GROMACS simulation engine (DOI: 10.1016/j.softx.2015.06.001 ) and the Martini 2 force field ( DOI:10.1021/jp071097f ). The geometries, generated using BUMPy ( DOI: 10.1021/acs.jctc.8b00765 ), are maintained using restrained dummy particles that repel lipid acyl chains All input and output files are provided for each simulation, and the cpt files allow to extend the simulations. The top, itp (in TOP.tar archive), mdp, and ndx files are common for each simulation. The simulations have been used in DOI: 10.1101/2020.09.23.310086.
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Zenodo创建时间：
2021-01-16
