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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:
If a
parmed.Structure
has multiple dihedral potentials for a single set of atoms, then this information is lost in the conversion to thegmso.Topology
.I have put together a gist with a simplified example:
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