On Sun, Apr 11, 2021, David Gae wrote:
>
>
> I had few questions about chromophore lactim and lactone atom type
> assignment via ANTECHAMBER. I was wondering if there is a program that
> may assign lactim or lactone assigned on small ligands?
>
> I provided my prepin, frcmod, and if these files helps users. I ended up
> assigning it manually.
What happens when you just ask antechamber to make the assignments? (Are
the atom types in the prepin file the ones you assignment manually?)
....dac
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Received on Sun Apr 11 2021 - 06:30:04 PDT
