diff --git a/mrdna/segmentmodel.py b/mrdna/segmentmodel.py index 80436df0192b94cff995566b429bcc8da72be6bf..13a5d74462259059836791a4621a9f1402c074d5 100644 --- a/mrdna/segmentmodel.py +++ b/mrdna/segmentmodel.py @@ -2075,7 +2075,7 @@ class SegmentModel(ArbdModel): if self.DEBUG: print("Adding intrahelical angle potentials") for b1,b2,b3 in self._get_intrahelical_angle_beads(): ## TODO: could be slightly smarter about sep - sep = 0.5*b1.num_nt+b2.num_nt+0.5*b3.num_nt + sep = 0.5*(0.5*b1.num_nt+b2.num_nt+0.5*b3.num_nt) parent = self._getParent(b1,b2,b3) kT = 0.58622522 # kcal/mol