Simulations Of Popc Lipid Bilayer In Water Solution At Various Nacl And Cacl2 Concentrations Using Ecc-Popc Force Field And Various Water Models
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Classical molecular dynamics simulations of a POPC lipid bilayer in water solution at various NaCl and CaCl2 concentrations using ECC-POPC force field parameters, various water models and ECC-ions. Simulations with SPC/E water model are in a separate Zenodo deposit<br> https://doi.org/10.5281/zenodo.1118266 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)
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2017-12-19
