diff --git a/nbPot.py b/nbPot.py index 95f0d4e9dd5806ebf108f3802d6441542d8ed949..20757abbcdeed481c23632e2001a0e7ed75fd17b 100644 --- a/nbPot.py +++ b/nbPot.py @@ -95,7 +95,6 @@ class nbDnaScheme(NonbondedScheme): if typeA.name[0] == "O" or typeB.name[0] == "O": u = np.zeros(np.shape(r)) else: - # u = nbPot.nbPot(r, typeA.nts*2, typeB.nts*2) - u = nbPot(r, typeA.nts, typeB.nts) + u = nbPot(r, 0.5*typeA.nts, 0.5*typeB.nts) return u nbDnaScheme = nbDnaScheme()