[AMBER] AM1-BCC without optimization in antechamber?

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From: Brian Radak via AMBER <amber.ambermd.org>
Date: Thu, 8 Dec 2022 15:11:18 -0500

I can't seem to determine this from the manual or previous posts to the
listserv. Is it possible to use Antechamber for AM1-BCC charges on the
input geometry? I know there's a tutorial for doing the intermediate steps
manually (including calling SQM), is that my only option?

Cheers,
Brian
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Received on Thu Dec 08 2022 - 12:30:03 PST