parmed.amber.LoadParm(parmname, xyz=None, box=None)[source]

Loads a topology file using the correct class.


The name of the topology file to load

xyzstr or array, optional

If provided, the coordinates and unit cell dimensions from the provided Amber inpcrd/restart file will be loaded into the molecule, or the coordinates will be loaded from the coordinate array

boxarray, optional

If provided, the unit cell information will be set from the provided unit cell dimensions (a, b, c, alpha, beta, and gamma, respectively)

parmAmberParm (or subclass)

This function parses the topology file, determines if it is an Amber-style (i.e., traditional Amber force field), Chamber-style (i.e., CHARMM force field), or Amoeba-style (i.e., Amoeba force field), and then returns an instance of the appropriate type.