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Accidentally set two defaults
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Georgy Andreev committed Dec 12, 2023
1 parent 4ab5d72 commit 26667dd
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions openmmforcefields/generators/template_generators.py
Original file line number Diff line number Diff line change
Expand Up @@ -1070,8 +1070,8 @@ def classes(atom_indices):
# Lennard-Jones
# In case subclasses specifically set the 1-4 scaling factors, use those.
nonbonded_types = etree.SubElement(root, "NonbondedForce",
coulomb14scale=getattr(self, "_coulomb14scale", None) or "0.833333",
lj14scale=getattr(self, "_lj14scale", None) or "0.5")
coulomb14scale=getattr(self, "_coulomb14scale", "0.833333"),
lj14scale=getattr(self, "_lj14scale", "0.5"))
etree.SubElement(nonbonded_types, "UseAttributeFromResidue", name="charge")
for atom_index in range(forces['NonbondedForce'].getNumParticles()):
charge, sigma, epsilon = forces['NonbondedForce'].getParticleParameters(atom_index)
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