Thanks a lot for the suggestions and pointers.
On Fri, Jun 11, 2021 at 3:45 PM David A Case <david.case.rutgers.edu> wrote:
> 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
> strand.)
>
> 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
> alter.
>
> ....dac
>
>
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Received on Sat Jun 12 2021 - 02:30:02 PDT
