On Thu, Sep 12, 2024, 홍종희 via AMBER wrote:
>No Gasteiger parameter for atom (ID: 3, Name: B1, Type: DU)
>It seems that the problem is because atom B is not there in predifiend atom type definition
If atom B1 is a boron, you are out of luck with antechamber: it does not
deal with boron atoms. You will need to do a literature search to see if
others have constructed force fields for the type of boron environment you
have.
....dac
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Received on Thu Sep 12 2024 - 07:00:05 PDT
