Hi,
as far as I am aware of the central atom in an improper is always the
third atom. I think in the attached example (cyclopropyl-benzene) the
order is wrong for C5-H-C-C1. In the parmtop the order of indices is
18(H) 0(C) -15(C5) -3(C1). Shouldn't that be -0 in third position?
Cheers,
Hannes.
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Received on Mon Mar 31 2014 - 08:00:03 PDT
