HomoRing

Synopsis

Ring polymer in which all atoms are of the same type.

A homopolymer is a ring of nAtom atoms with the same atomType (i.e., the same type id). The current implementation sets the bond type of all bonds to 0.

If the code is compiled with angle potential enabled, this implementation will create angle potentials of type 0 among all sequences of three consecutive atoms.

If the code is compiled with dihedral potential enabled, this implementation will create dihedral potentials of type 0 among all sequences of four consecutive atoms.

TOOD: Make incusion of atom potentials optional when compiled with angle potentials enabled, and allow explicit specification of bond, angle, and dihedral types.

See also

Simp::HomoRing

Parameters

The HomoRing parameter file format is:

HomoRing{
  moleculeCapacity  int
  nAtom             int
  type              int
}

The parameter meanings are as follows:

moleculeCapacity	number of molecules for which memory is allocated	required
nAtom	number of atoms (monomers) in the ring	required
type	atom type id of all atoms	required