openforcefield.utils.structure.save_system_to_amber(openmm_topology, system, positions, prmtop, inpcrd)[source]

Save an OpenMM System, with provided topology and positions, to AMBER prmtop and coordinate files.

openmm_topology : OpenMM Topology

Topology of the system to be saved, perhaps as loaded from a PDB file or similar.

system : OpenMM System

Parameterized System to be saved, containing components represented by Topology

positions : unit.Quantity position array

Position array containing positions of atoms in topology/system

prmtop : filename

AMBER parameter file name to write

inpcrd : filename

AMBER coordinate file name (ASCII crd format) to write