Re: [AMBER] how to stop making terminal residue

From: David A Case <>
Date: Tue, 11 Jan 2022 09:18:46 -0500

On Mon, Jan 10, 2022, Daniel Konstantinovsky wrote:
>I am trying to bond a newly parameterized residue to the phosphate of a
>*non-terminal* DA residue. It is non terminal in the original PDB. However,
>tleap seems to make it a DA5 anyway

Can you post the part of the pdb file that shows the problem? Without
knowing what is in that , it's hard to tell why tleap might want to make a
chain break before that residue.


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Received on Tue Jan 11 2022 - 06:30:02 PST
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