On Fri, Jan 27, 2017, Anna Cebrian Prats wrote:
>
> Amber force field has the parameters of the diatomic O2 molecule? Which
> atom type use to define it?
O2 is not a standard unit in any Amber libraries. See tutorial B4 for
general instructions on creating such units. O2 is so simple, you could also
do it my hand (if you were familiar with the file formats), but I'd recommend
antechamber anyway.
....dac
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Received on Fri Jan 27 2017 - 13:00:04 PST
