[AMBER] Suggestions for Mn3O4

From: Subhadip Basu <subhadipbasu4.gmail.com>
Date: Fri, 27 Aug 2021 11:37:49 +0530

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).

Subhadip Basu
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Received on Thu Aug 26 2021 - 23:30:02 PDT
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