Re: [AMBER] How to use AM1 for Ti atom in Amber?

From: David A Case <>
Date: Mon, 11 Jan 2021 08:32:54 -0500

On Mon, Jan 11, 2021, 孙天宇 wrote:
>Could you please tell me how to use AM1 or PM3 for Ti atom in Amber?
>Now AM1 and PM3 do not support Ti atom.

I think you have to consider using something like PM6. See Section 9.1
in the Amber 2020 Reference Manual for a list of supported atoms for various
semi-empirical models.

Do you use other programs that support Ti in AM1?


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Received on Mon Jan 11 2021 - 06:00:05 PST
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