MD simulations of a full-length Lipid A phosphoethanolamine transferase from Neisseria meningitidis ( Nm EptA, PDB code: 5FGN). NmEptA decorates lipid A with phosphoethanolamine (PEA) by t
GROMOS-CKP POPS simulations (298 K, starting structure from the CHARMM-GUI with the appropriate hydrogen atoms removed) performed with 1.4 nm cut-offs, PME and a long range dispersion correction. The
