On Fri, Feb 21, 2025, Rosa Teijeiro Juiz via AMBER wrote:
>
>I am working on the parametrization of some non-canonical amino acids
>(NCAAs), but I have encountered a problem:
>
>The NCAA I am currently working with, has a silicon atom within its
>structure.
The gaff2 force field indeed does not support silicon. If you do an
internet search on (for example) "Amber force field silicon", you will find
lots of hits. Which one to choose will depend on what kind of
chemical environment the silicon atom is in. But this search should get to
starting in the right direction.
....dac
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Received on Sat Feb 22 2025 - 16:00:03 PST
