Hi Paulius,
Yes, Amber18 does. You can try to do a 12-6-4 simulation using pmemd.cuda in Amber18 and check the output file.
Pengfei
> On Apr 4, 2020, at 3:01 PM, Paulius Kantakevicius <paulius.kantakevicius.gmail.com> wrote:
>
> Hello,
>
> Does AMBER18 support 12-6-4LJ potentials for thermodynamic integration (TI)
> on PMEMD engine? I was reading the article on AMBER18 developments
> https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6226240/ , which suggested
> that they added support of TI and 12-6-4LJ for PMEMD in AMBER18. However, I
> can't find any mention whether you can use 12-6-4LJ potential during
> thermodynamic integration simulations on PMEMD engine.
>
> Sincerely,
> Paulius
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Received on Thu Apr 09 2020 - 08:30:02 PDT
