Commit 06d30673 authored by cmaffeo2's avatar cmaffeo2
Browse files

More restrictive condition for creating crossover dihedral potentials

parent 3404c828
......@@ -2698,11 +2698,12 @@ class SegmentModel(ArbdModel):
# if n2.idx == 0:
# print( n1.idx,n2.idx,n3.idx,n4.idx,k,t0,sep )
# if sep == 0 and n1 is not n4:
if sep == 0:
# pot = self.get_angle_potential(k,t0)
# self.add_angle( n1,n2,n4, pot )
pass
elif len(set((n1,n2,n3,n4))) != 4:
print("WARNING: skipping crossover dihedral angle potential because beads are too close")
else:
pot = self.get_dihedral_potential(k,t0)
self.add_dihedral( n1,n2,n3,n4, pot )
......
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