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 Sat Apr 04 2020 - 12:30:02 PDT
