Removed an if statement that was causing addHydrogens() to fail for systems containing OH groups.

25c22045 · Lee-Ping Wang · 604a8538 · 25c22045
Commit 25c22045 authored Jul 12, 2013 by Lee-Ping Wang
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Showing with 3 additions and 4 deletions

wrappers/python/simtk/openmm/app/modeller.py wrappers/python/simtk/openmm/app/modeller.py +3 -4

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--- a/wrappers/python/simtk/openmm/app/modeller.py
+++ b/wrappers/python/simtk/openmm/app/modeller.py
@@ -734,7 +734,6 @@ class Modeller(object):
                                    else:
                                        delta = Vec3(random.random(), random.random(), random.random())*nanometer
                                    delta *= 0.1*nanometer/norm(delta)
-                                    if len(expected) > 1:
                                    delta += 0.05*Vec3(random.random(), random.random(), random.random())*nanometer
                                    delta *= 0.1*nanometer/norm(delta)
                                    newPositions.append(self.positions[parent.index]+delta)