Hi All,
I need to parameterize 100-200 small molecules into our force field and
would like to avoid doing it all from scratch. Antechamber would be perfect
except that we aren't using Amber (or GAFF). However, it does provide
parameters for a self-coherent molecule, so I feel like I'm almost there if
I can just find a transform. I've got some ideas, but I don't really want
to re-invent the wheel, particularly if they've been shown to not work.
Have there been any successful efforts in this direction so far?
Thanks!
-denny-
p.s. I apologize if this has been covered already. I searched the archives
but never really found any search terms that worked...
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Received on Fri Mar 26 2010 - 15:30:02 PDT
