From befc24fb1440c9fb74cd6f2c6903c1e47bfb98f6 Mon Sep 17 00:00:00 2001
From: Chris Maffeo <cmaffeo2@illinois.edu>
Date: Mon, 10 Sep 2018 16:11:55 -0500
Subject: [PATCH] Relaxed assertion on minimum bond lengths
---
mrdna/segmentmodel.py | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/mrdna/segmentmodel.py b/mrdna/segmentmodel.py
index 5324706..b2f8430 100644
--- a/mrdna/segmentmodel.py
+++ b/mrdna/segmentmodel.py
@@ -1347,7 +1347,7 @@ class SegmentModel(ArbdModel):
raise Exception("Unhandled potential type '%s'" % type_)
return self._bonded_potential[key]
def get_bond_potential(self, kSpring, d):
- assert( d > 1 )
+ assert( d > 0.2 )
return self._get_potential("bond", kSpring, d)
def get_angle_potential(self, kSpring, d):
return self._get_potential("angle", kSpring, d)
--
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