On Thu, Jan 14, 2021, MYRIAN TORRES RICO wrote:
>
>Me again, with a different short question...What are the different
>between the AMBER force field parm and gaff? is the parm parameters in
>a waterbox TIP3P?
GAFF (and GAFF2) are force fields designed to work on fairly arbitrary
organic molecules. Other "Amber" force fields are optimized for proteins,
nucleic acids, carbohydrates, water, and so on. GAFF can be used when
there are no specific force field parameters for your molecule or residue.
....dac
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Received on Thu Jan 14 2021 - 06:00:03 PST
