Dear Sir or Madam,
I want to use amber to parameterize a force field for a transition state
of an organic molecule with transition metal-palladium.
When I only defined one new atom type for palladium (in tleap and the frcmod file),
it could run successfully. But when I defined more new atoms types in addition to
palladium, such as nitrogen atom that bonded to palladium, it would run with error
message.
Does somebody could kindly tell me what's the problem?
Best regards!
Liping
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Received on Tue Feb 26 2013 - 00:00:03 PST
