topology {} end :== reset --{Resets the torsion topology. Should only be used stand-alone, i.e., TOPOlogy RESEt END.} fix torsion --{Constrain the selected torsion angle.} fix group --{Constrain all torsion angles within the selected group.} free torsion --{Un-constrain selected torsion angle.} free bond --{Ignore the selected bond for torsion topology generation. The bond will still be restrained through the energy function, but it is not constrained to a fixed value. All bonds that match the double selection will be "free-ed". This statement is useful for breaking closed loops that are not part of rigid groups.} kdihmax= --{Threshold for selecting torsions as free to rotate. Rotation will be permitted around torsion angles with force constants less than this cutoff value. Torsion angles with force constants above this value will be constrained during dynamics.} Notes: The topology statements (except RESEt) are only parsed if no torsion topology is already present.