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Softwares and Force Fields

  • CGTOOLS_LIPIDS -- Simulation Package for Lipids:
    An ESPResSo-compatible software for implementing simulations of lipid membranes with the systematically coarse-grained solvent-free model for quantitative phospholipid bilayer.
    The package includes simulation examples of POPC, DOPC and DPPC lipid systems.
    References: J Phys Chem B, 2010, 114: 11207 and New J Phys 2010, 12: 095004 by Wang and Deserno.
  • Systematic Coarse-Grained Solvent-Free Force Field for Lipid Membranes: cgforcefield.tgz
    Download this file if you want to simulate a lipid membrane with the systematically coarse-grained solvent-free phospholipid bilayer model using another simulation package rather than ESPResSo, e.g. using GROMACS, NAMD, CHARMM etc.
    The force filed is also availabe as a supporting information of J Phys Chem B, 2010, 114: 11207.