Don't set old-style Lennard-Jones well depths

We don't use Lennard-Jones scoring here, so just skip setting the well depths.
salilab · Feb 27, 2025 · f6d2120 · f6d2120
1 parent 6bae712
commit f6d2120
Showing 1 changed file with 0 additions and 1 deletion.
diff --git a/pyext/src/restraints/stereochemistry.py b/pyext/src/restraints/stereochemistry.py
@@ -539,7 +539,6 @@ def __init__(self, root, ff_temp=300.0, zone_ps=None, zone_size=10.0,
             print('init bonds score', r.unprotected_evaluate(None))
             self.bonds_rs.add_restraint(r)
             ff.add_radii(root)
-            ff.add_well_depths(root)
 
         atoms = IMP.atom.get_by_type(root, IMP.atom.ATOM_TYPE)
         # non-bonded forces