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CHARMM36 and Martini3 membrane models of E. coli polar lipid extract

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KristynaPluhackova/MD_models_Ecoli-PLE

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# MD_models_Ecoli-PLE

# This is a public repository of data associated with the Open-Access article 
# "Native-like membrane models of E. coli polar lipid extract shed light on the importance of lipid composition complexity"
# by Kristyna Pluhackova and Andreas Horner
# published in 2020 in BMC Biology

#The directory CG_resolution contains simulation files at CG resolution using Martini3 and GROMACS201x

#The directory AA_resolution contains simulations files at AA resolution using CHARMM36 and GROMACS201x

#The directory resolution_conversion contains conversion program backward, routine initram and mapping files for resolution conversion 

#The directories AA_results and CG_results contain data used to create the plots in the manuscript. 

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