[MMTK] unconventional protein termini

[Konrad Hinsen]

>     Has anyone on the list set up Group files and partial charges for
> capped protein termini (specifically an acetylated n-terminus and an
> amidated c-terminus)?  I can definitely throw something together, getting
> the partial charges from analogous groups, but if someone has already done
> this right it'd be better to use that.

Have a look at the entries ace_beginning_nt and nmethyl_ct in the
standard MMTK database. They were created from data in the Amber
topology files, so I suppose they are OK (but I am really not an
expert on these things).

Konrad.
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