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Molecular dynamics simulations of lipid bilayers containing POPC and POPS (various mixtures) with ECC-lipids force field, and Na+ (K+) counterions

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Zenodo2020-09-20 更新2026-05-25 收录
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Classical molecular dynamics simulations of various mixtures of POPC:POPS lipid bilayers in water solution with only Na+ counterions (or with K+ counterions when noted with "_KCl" suffix). ECC-lipids force field parameters used for lipids, SPC/E water model and ECC-ions, all parameters available at https://github.com/jmelcr/ecc_lipids simulations performed with Gromacs 2018.0 (*.xtc files) simulation length 1000 ns = 1 microsecond temperature 298 K Gromacs simulation setting is in the file npt_lipid_bilayer.mdp

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Zenodo
创建时间:
2018-11-15
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