POPC bilayer, 154 mM NaCl ions, prosECCo75 version of CHARMM36 FF, 310K, gromacs 2021.2
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Atomistic molecular dynamic simulation of POPC lipid bilayer in 154 mM NaCl water solution. Water model: TIP3P - CHARMM36 version<br> Lipids: prosECCo75 version of CHARMM36<br> Ions: Sodium: Na_s: DOI: 10.1021/acs.jpcb.5b05221 ; Jungwirth2015 ; scaled<br> Chloride: Cl_2s: DOI: 10.1080/00268976.2013.875231 ; Jungwirth2014b ; scaled README.yaml contains info on simulations files, plus basic analysis (headgroup order parameters, area per lipid)
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Zenodo创建时间：
2022-05-11
