On Fri, Feb 20, 2015, Jason Swails wrote:
> > (Developers: we should try to detect Tripos atoms types upon loading a mol2
> > file in tleap, and output an approriate warning message to the user.)
> >
>
> What would we do with said atom types? Can you clarify what problem this
> is causing?
Just emit a warning message that Amber won't be able to make use of the atom
types found. Probably this could be triggered if there is a "." character in
the atom type field, or if it is more than two characters.
...thx...dac
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Received on Fri Feb 20 2015 - 08:00:03 PST
