diff --git a/segmentmodel.py b/segmentmodel.py index 9018fc4e0830a42cc22d84c930252b9d3007cef8..20ca571f1c920af0214988d3efd933f7c86bbfda 100644 --- a/segmentmodel.py +++ b/segmentmodel.py @@ -1709,6 +1709,10 @@ class SegmentModel(ArbdModel): if local_twist: ## TODO optimize this paramter k *= 0.5 # halve because orientation beads have similar springs + angle = self.get_angle_potential(k,180) + o1,o2,o3 = [b.orientation_bead for b in (b1,b2,b3)] + parent.add_angle( o1, o2, o3, angle ) + else: ## TODO: get correct number from ssDNA model k = 1.5 * kT * (1.0 / (1-np.exp(-float(sep)/3))) * 0.00030461742; # kcal_mol/degree^2