Re: [AMBER] NAB superimpose issue

From: David A Case <>
Date: Fri, 11 Jun 2021 09:44:42 -0400

On Thu, Jun 10, 2021, Mandar Kulkarni wrote:

>Is it possible to renumber residues using the NAB command after mergestr?

My recollection may be poor, but I don't think NAB uses residue numbers.
Rather, it uses a "residue index" that starts from 1 and increments with
each new residue. (There is an option to begin again at 1 for each new

As noted in the Table on p. 756 of the Amber16 User's Manual, resnum and
tresnum are not writeable (since they serve as indices and not labels.)
So, with the code as we have it, residue numbers are not something you can


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Received on Fri Jun 11 2021 - 07:00:02 PDT
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