Dear Users,
I want to simulate a Mn3O4 crystal slab in AMBERMD. Can anyone suggest
suitable force field parameters for Mn and O? Mn3O4 has both ionic and
covalent bonds between Mn and O and two oxidation states of Mn(+2 and +3).
Regards,
Subhadip Basu
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Received on Thu Aug 26 2021 - 23:30:02 PDT
