Re: [AMBER] Covalent bonds across periodic boundaries supported yet/ever?

From: David A Case <>
Date: Wed, 26 May 2021 09:08:31 -0400

On Thu, May 20, 2021, Tucker Burgin wrote:

>GROMACS can support covalent bonds across a periodic boundary. I am
>interested in converting a GROMACS model that makes use of this feature for
>use with Amber using ParmEd's gromber command, but it appears that Amber
>doesn't know how to handle these bonds correctly.

You are correct: Amber doesn't allow for such bonds. I'm not aware of any
efforts to change this.


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Received on Wed May 26 2021 - 06:30:03 PDT
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