topology {} end :== mass --{Atom type and default mass.} residue {} end --{Define the topology of a residue.} presidue {delete|add|modify|omit } end --{Define the topology of a patch residue.} autogenerate [angle=] [dihedral=] end --{Enable autogeneration of angle and dihedral topology entries based on bond list. This is not active for patch residue, thus angles and dihedrals must be explicitly defined.} reset --{Ignore all previous entries into topology database.} ? --{Print current topology database.} :== atom [] {} end --{Define an atom in the residue.} bond [] [] --{Define a pair of atoms in the residue which are connected by a bond.} angle [] [] [] --{Define a triple of atoms in the residue which are connected by 2 bonds.} dihedral [] [] [] [] [multiplicy ] --{Define a quadruple of atoms in the residue which form a torsion angle around a common central bond.} improper [] [] [] [] [multiplicy ] --{Define a quadruple of atoms in the residue which will be treated as if there is a bond between the centre 2 atoms.} donor [] [] --{Define a hydrogen bond donor. Hydrogen atom followed by connected heavy atom.} acceptor [] []|none --{Define a hydrogen bond acceptor. Bond acceptor followed by optional connected heavy atom.} :== type= --{Type of this atom.} charge= --{Charge of this atom.} mass= --{Mass of this atom.} exclude=( {[]} ) --{Exclude the following atoms from interactions with this atom.} --{The character is only required for patch residues.}