On Fri, Mar 10, 2017, jinfeng liu wrote:
>
> I want to perform MD simulations for a molecule which contains a
> boron atom. How can I get the proper parameters for boron atom ?
Depends a lot on what kind of boron environment you have. I'd suggest
Google searches on "boron force field" and "boron force field amber". This
will be piece-work: there is no built-in support for boron.
....dac
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Received on Fri Mar 10 2017 - 07:30:04 PST
