Commit fa4b1dae authored by cmaffeo2's avatar cmaffeo2
Browse files

Added nonbonded exclusions between beads participating in crossovers within 3 bp of the crossover

parent 803f652a
......@@ -2411,6 +2411,15 @@ class SegmentModel(ArbdModel):
break
# exclusions.update( tmp )
## Add exclusions very near crossovers
for c,A,B in sum([self.get_connections(term) for term in ("crossover","terminal_crossover")],[]):
b1,b2 = [loc.particle for loc in (A,B)]
near_b1 = _recursively_get_beads_within(b1, 3, done=[])
near_b2 = _recursively_get_beads_within(b2, 3, done=[])
for bi in near_b1:
for bj in near_b2:
exclusions.add((bi,bj))
if self.DEBUG: print("Adding %d exclusions" % len(exclusions))
for b1,b2 in exclusions:
parent = self._getParent(b1,b2)
......
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