I'm not an expert on that part of the code, but a quick look through
suggests that ntt=9 isn't supported in pmemd.
On Tue, Mar 31, 2026 at 1:52 PM Jones De Andrade via AMBER <
amber.ambermd.org> wrote:
> Dear users,
>
> I wish to use amber's pmemd program to perform NpT (Nosè thermostatized)
> MD simulations.
>
> This means using option n=9, however the pmemd reports that "ERROR: ntt
> must be set to 0, 1, 2, 3, or 11! ERROR: ntt must be 3 if gamma_ln >
> 0!".
>
> The input works fine in sander. Google search found some mentions to
> issues in "pmemd+ntt=9", however it dates back to 2019, so I don't think
> it should still be an issue.
>
> Any clue on what could possibly be going wrong?
>
> Thanks a lot in advance,
>
> Jones
> --
> Jones de Andrade
> (jdandrade.iq.ufrgs.br)
> DFQ/IQ/UFRGS
> Lattes: http://lattes.cnpq.br/6675936210583999
> Orcid: https://orcid.org/0000-0003-3429-8119
> ResearcherID: https://publons.com/researcher/AAC-5337-2019/
>
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Received on Tue Mar 31 2026 - 11:30:04 PDT
