When calling addHydrogens() without a ForceField, improve positioning of hydrogens

ebe757dd · peastman · b32e5832 · ebe757dd
Commit ebe757dd authored Jul 30, 2015 by peastman
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wrappers/python/simtk/openmm/app/modeller.py wrappers/python/simtk/openmm/app/modeller.py +1 -1

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--- a/wrappers/python/simtk/openmm/app/modeller.py
+++ b/wrappers/python/simtk/openmm/app/modeller.py
@@ -813,7 +813,7 @@ class Modeller(object):
            # and causes hydrogens to spread out evenly.
            system = System()
-            nonbonded = CustomNonbondedForce('1/((r/0.1)^4+1)')
+            nonbonded = CustomNonbondedForce('100/((r/0.1)^4+1)')
            bonds = HarmonicBondForce()
            angles = HarmonicAngleForce()
            system.addForce(nonbonded)