All-atom Phospholipid membranes of various sizes and compositions
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https://zenodo.org/record/4522358
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资源简介：
Publication: Ripple-like instability in the simulated gel phase of finite size phosphocholine bilayers
Published on: To be published
Journal: To be submitted
Description: Simulation files of different lipid bilayer made either of DPPC, DPPE or DSPC. Different number of lipids per bilayers are provided (given in the name of the file). The average number of water molecules per lipid is circa 160 water molecules per lipid.
Complete simulations are provided for two of the systems
Simulation details:
Software: Gromacs (v. 2016.4)
Forcefield: Charmm36 (v. June 2015) - Water: TIP3P
Thermostat: Nose-hoover (0.4ps, 2 groups)
Barostat: Parrinello-Rahman semi-isotropic (2.0ps, 1.0 bar on each axis, 4.5e-5 bar-1)
Duration: 50 ns
创建时间：
2021-02-10
