diff --git a/plumitas/plumitas.py b/plumitas/plumitas.py index 90f12ed..44accf2 100644 --- a/plumitas/plumitas.py +++ b/plumitas/plumitas.py @@ -203,7 +203,6 @@ def potential_of_mean_force(df, collective_variables, if not weight: raise ValueError('You must supply frame weights to generate the FES.' 'Try using plumitas.get_frame_weights first.') - k = 8.314e-3 beta = 1 / (temp * k)