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 - 11:00:02 PDT
