On Mon, Jan 07, 2013, osalo.abo.fi wrote:
> +Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
> +---Tried to superimpose torsions for: *-C8-N3-*
> +--- With Sp2 - Sp0
> +--- Sp0 probably means a new atom type is involved
> +--- which needs to be added via addAtomTypes
This is for information purposes only: it is not an error. It means that atom
type "C8" does not appear in the addAtomTypes section of your leaprc file.
Indeed, this is not a standard Amber atom type. To suppress the warning,
use the addAtomTypes command in LEaP to tell it that you have this type.
...regards...dac
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Received on Mon Jan 07 2013 - 08:00:03 PST
