Re: [AMBER] Multiplicity in antechamber

From: Jason Swails <>
Date: Wed, 6 Jul 2016 16:35:12 -0400

On Wed, Jul 6, 2016 at 2:22 PM, Fabrício Bracht <> wrote:

> Hello. How do I get the -m flag to work in antechamber? When I type the
> following command, I get
> antechamber -fi pdb -fo mol2 -i SO.pdb -o SO_pre.mol2 -c bcc -pf y -m 2 -nc
> -1

​sqm can only handle singlets. If you have a doublet (or higher multiplet)
you need to use an ab initio code instead. If you wish to use antechamber,
that means Gaussian.


Jason M. Swails
AMBER mailing list
Received on Wed Jul 06 2016 - 14:00:01 PDT
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