diff --git a/chiron/potential.py b/chiron/potential.py index 91c6458..14676dd 100644 --- a/chiron/potential.py +++ b/chiron/potential.py @@ -272,7 +272,7 @@ def __init__( self, topology: Topology, k: unit.Quantity = 1.0 * unit.kilocalories_per_mole / unit.angstrom**2, - x0: unit.Quantity = [[0.0, 0.0, 0.0]] * unit.angstrom, + x0: unit.Quantity = jnp.array([[0.0, 0.0, 0.0]]) * unit.angstrom, U0: unit.Quantity = 0.0 * unit.kilocalories_per_mole, ): """