diff --git a/examples/ase/ase_basic_example.ipynb b/examples/ase/ase_basic_example.ipynb index 9170dfbe..0dbb9aea 100644 --- a/examples/ase/ase_basic_example.ipynb +++ b/examples/ase/ase_basic_example.ipynb @@ -141,6 +141,7 @@ } ], "source": [ + "# Note that this is the energy in eV, not kJ mol-1 (the standard units of ASE are different to those of OpenMM and NanoVer)\n", "dyn.atoms.get_potential_energy()" ] }, @@ -204,7 +205,6 @@ } ], "source": [ - "# Note that this is the energy in eV, not kJ mol-1 (the standard units of ASE are different to those of OpenMM and NanoVer)\n", "nanover_imd.dynamics.atoms.get_potential_energy()" ] },