Berger lipids
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I wrote some topologies for Berger lipids adapted for use with the OPLS-AA force field. Some of these topologies have been checked, corrected adn tested by colleagues, but they might still contain errors. If you find mistakes, please do let me know. For mixing Berger UA lipids with OPLS-AA stuff, please refer to: Membrane protein simulations with a united atom lipid and all-atom protein model: side chain transfer free energies and model proteins. D. P. Tieleman, J. L. MacCallum, W. L. Ash, C. Kandt, Z. Xu, L. Monticelli. J. Phys-Condens. Mat. (2006), 18, S1221-S1234. All the topologies above need the Berger lipid topology file, with C6/C12 converted to sigma/epsilon: lipid_se_OPLSAA_Berger_corrected.itp |