Commit ce19f85c authored by peastman's avatar peastman
Browse files

Merge pull request #1063 from peastman/hydrogens

When calling addHydrogens() without a ForceField, improve positioning of hydrogens
parents a8e21c5b ebe757dd
......@@ -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)
......
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