openforcefield.utils.structure.check_energy_is_finite¶

openforcefield.utils.structure.check_energy_is_finite(system, positions)[source]¶

Check the potential energy is not NaN.

Parameters:	system : simtk.openmm.System The system to check positions : simtk.unit.Quantity of dimension (natoms,3) with units of length The positions to use