Re: [AMBER] antechamber syntax error

From: Aseel Bala <>
Date: Wed, 18 Jan 2017 10:25:52 -0500

Thank you. It worked from command line. I was previously following this

and I thought I had to enter it in xleap.


-----Original Message-----
From: David A Case []
Sent: Wednesday, January 18, 2017 8:27 AM
To: AMBER Mailing List <>
Subject: Re: [AMBER] antechamber syntax error

On Tue, Jan 17, 2017, Aseel Bala Ahmed wrote:

> I created a molecule (methanol) in xleap and now I am trying to use
> antechamber to create the mol2 files. I tried the following on both
> xleap and tleap:
> loadPdb moh.pdb (worked successfully)
> antechamber -i moh.pdb -fi pdb -o moh.mol2 -fo mol2

Antechamber is a program that must run from the command line. It is not a
command that you run inside tleap or xleap.

The second line above should be OK if you type is on the command line, but
it will not give you any charges. Consider adding "-c bcc" to get a charge


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