Simulations of POPC lipid bilayer in water solution at various NaCl, KCl and CaCl2 concentrations using ECC-POPC force field
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Classical molecular dynamics simulations of a POPC lipid bilayer in water solution at various NaCl, KCl and CaCl2 concentrations using ECC-POPC force field parameters, SPC/E water model and ECC-ions. file names report molar fraction of cations (i.e. not bulk concentrations) simulations performed with Gromacs 5.1.4 (*.xtc files) and openMM 7 (*.dcd files) simulation length 300 ns temperature 313 K (otherwise noted) Gromacs simulation setting is in the file npt_lipid_bilayer.mdp
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Zenodo创建时间：
2019-07-15
