Commit 00beb7c6 authored by cmaffeo2's avatar cmaffeo2
Browse files

Fixed factor of two error in non-bonded forces

parent 03465092
......@@ -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()
Supports Markdown
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment