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Description
If a parmed.Structure
has multiple dihedral potentials for a single set of atoms, then this information is lost in the conversion to the gmso.Topology
.
I have put together a gist with a simplified example:
import parmed
from gmso.external import from_parmed
pmd = parmed.load_file("emim_fake.top", xyz="emim.gro")
top = from_parmed(pmd)
print(top.dihedral_types)
print(pmd.dihedrals)