Do not generate conformers that will not be used (#315)

* Do not generate conformers that will not be used * bump ci --------- Co-authored-by: Mike Henry <[email protected]>
openmm · Dec 20, 2023 · 7149bc0 · 7149bc0
1 parent d6a620d
commit 7149bc0
Showing 1 changed file with 0 additions and 3 deletions.
diff --git a/openmmforcefields/generators/template_generators.py b/openmmforcefields/generators/template_generators.py
@@ -608,9 +608,6 @@ def generate_residue_template(self, molecule, residue_atoms=None):
             _logger.debug(f'Using user-provided charges because partial charges are nonzero...')
         else:
             _logger.debug(f'Computing AM1-BCC charges...')
-            # NOTE: generate_conformers seems to be required for some molecules
-            # https://github.com/openforcefield/openff-toolkit/issues/492
-            molecule.generate_conformers(n_conformers=10)
             molecule.assign_partial_charges(partial_charge_method='am1bcc')
 
         # Geneate a single conformation