; topology for 1 alm molecule, 128 popc lipids, water and 1 counter ion ; alm.itp can be made in a straightforward manner with pdb2gmx, starting ; with a pdb file of alamethicin. ; make sure lipid.itp, popc.itp and alm.itp are in a location where ; grompp can find them (GMXLIB, current directory, or directory given in ; the .mdp file with the include option. #include "gmx.ff/forcefield.itp" #include "lipid.itp" #include "dppc.itp" #include "gmx.ff/spc.itp" [ system ] ; name bilayer in water [ molecules ] ; name number DPPC 34