parmed.amber.LoadParm¶
-
parmed.amber.LoadParm(parmname, xyz=None, box=None)[source]¶ Loads a topology file using the correct class.
- Parameters
- parmname
str 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)
- parmname
- Returns
- parm
AmberParm(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.
- parm