Published May 11, 2022
| Version v1
Dataset
Open
POPC bilayer, 154 mM NaCl ions, prosECCo75 version of CHARMM36 FF, 310K, gromacs 2021.2
Authors/Creators
Description
Atomistic molecular dynamic simulation of POPC lipid bilayer in 154 mM NaCl water solution.
Water model: TIP3P - CHARMM36 version
Lipids: prosECCo75 version of CHARMM36
Ions: Sodium: Na_s: DOI: 10.1021/acs.jpcb.5b05221 ; Jungwirth2015 ; scaled
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)
Files
Files
(2.1 GB)
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