AMBER Archive (2006)

Subject: Re: AMBER: help with antechamber - creating ligand

From: Ilyas Yildirim (yildirim_at_pas.rochester.edu)
Date: Tue Sep 05 2006 - 16:26:11 CDT


A quick look at the .pdb file u sent shows that u dont have unique naming
in your structure. U have to have unique names for the atoms.

On Tue, 5 Sep 2006 sethl_at_gatech.edu wrote:

> Dear Amber Community,
>
> I created a mol2 file for a proflavine molecule using antechamber. When I do a
> "loadmol2" antechamber crashes... I need help figuring out what I have done
> wrong in creating my mol2 file. The mol2 file was created with:
>
> "antechamber -i proflavine.pdb -fi pdb -o proflavine_charged.mol2 -fo mol2 -c
> bcc"
>
> I have attached both the pdb and the mol2 file if anyone wants to take a look.
>
> Thanks as always,
> Seth
> Georgia Institute of Technology

-- 
  Ilyas Yildirim
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