On Fri, Nov 09, 2012, Maximilian Ebert wrote:
>
> maybe I should ask my question differently. Can I ignore this section
> and still get a reasonable MD simulation?
>
> +Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
> +---Tried to superimpose torsions for: *-NB-FE-*
> +--- With Sp2 - Sp0
> +--- Sp0 probably means a new atom type is involved
> +--- which needs to be added via addAtomTypes
Yes, you can ignore these....dac
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Received on Fri Nov 09 2012 - 18:00:02 PST
