Commit da34062f authored by Jason Swails's avatar Jason Swails

Merge pull request #612 from rafwiewiora/impropers_writing

skip dihedral writing only if no propers AND periodic impropers
parents b262495d a0b4ca05
...@@ -298,7 +298,7 @@ class OpenMMParameterSet(ParameterSet): ...@@ -298,7 +298,7 @@ class OpenMMParameterSet(ParameterSet):
dest.write(' </HarmonicAngleForce>\n') dest.write(' </HarmonicAngleForce>\n')
def _write_omm_dihedrals(self, dest, skip_types): def _write_omm_dihedrals(self, dest, skip_types):
if not self.dihedral_types: return if not self.dihedral_types and not self.improper_periodic_types: return
# In ParameterSet, dihedral_types is *always* of type DihedralTypeList. # In ParameterSet, dihedral_types is *always* of type DihedralTypeList.
# The from_structure method ensures that, even if the containing # The from_structure method ensures that, even if the containing
# Structure has separate dihedral entries for each torsion # Structure has separate dihedral entries for each torsion
......
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