Pass (w_f, w_r) instead of (-w_f, -w_r) to BAR
@@ -374,7 +374,7 @@ def test_alchemical_langevin_integrator():
positions = eq_positions
print(i)
- deltaF, ddeltaF = pymbar.BAR(-w_f, -w_r)
+ deltaF, ddeltaF = pymbar.BAR(w_f, w_r)
print(deltaF)
print(ddeltaF)
