Hi all.
I' looking for an answer that will probably quite straightforward here.
;)
I'm performing the parametrization of some dihedral torsions. I know
from older amber versions and its papers (i.e, Cornell JACS 1995 and Fox
JPCB 1998) that it used to be done at MP2/6-31G*//HF/6-31G* level.
However, since Amber94/96 a lot of evolution happened until AMBER19, so
I want to ask if there was any changes (possible improvements) on the
"protocol" concerning *especifically* dihedrals torsions
parametrization, or it it is still maintained at the same level.
Thanks a lot in advance,
Best regards,
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 Feb 13 2024 - 19:30:02 PST
