On Jul 12, 2012, at 3:56 PM, Pedro Swagger <pedrito.swagger.gmail.com> wrote:
>
> +Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
> +---Tried to superimpose torsions for: *-S-O3-*
> +--- With Sp0 - Sp0
> +--- Sp0 probably means a new atom type is involved
> +--- which needs to be added via addAtomTypes
> +
You can ignore these, or follow the suggestion given in the message and update the addAtomTypes section (in your leaprc file, for example) to add the new atom types and their hybridization.
....dac
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Received on Thu Jul 12 2012 - 13:30:03 PDT
