Hello Chris--
>
> presidue THET ! Thioether linkage ...CYS - S - CYS...
> group
> delete atom 1HG end
> group
> delete atom 2HG end
> delete atom 2SG end
> modify atom 2CB type=CT end
>
> add bond 1SG 2CB
>
> add angle 1CB 1SG 2CB
>
> end
>
> I then get the following error:
>
> %HBUILD-ERR: error building hydrogen for donor:
> " 5 CYS CB "
> Some bond angles are missing in the topology
> and parameter file that involve this donor atom.
> %<HBUILD>-ERR: Unknown angles involving donor atom.
>
Well you certainly are missing the bond angle 1SG 2CB 2CA. I think
you'll also want the improper 2HB1 2HB2 2CA 1SG.
I hope this is sufficient.
Charles
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Charles Schwieters email: Charles at Schwieters.org
www: http://schwieters.org/cds
phone: (301) 402-4914 PGP key: http://schwieters.org/cds/pgp.txt
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