On Wed, Oct 10, 2012 at 12:39 PM, Anogna <anognal.gmail.com> wrote:
> Hi all,
>
> I have attached my pdb file along with the mail.
> As per my knowledge my pdb file is correct. I verified all the columns and
> spacings.
> But still i am faceing mopac error.
>
Please try antechamber from AmberTools 12 and see if the error still
exists. Versions of Amber that use mopac are quite old, I think. For me,
your PDB works with AmberTools 12 (using your command:
antechamber -i lgn.pdb -fi pdb -o lgn.mol2 -fo mol2 -c bcc -nc 1 -j 5
)
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Wed Oct 10 2012 - 06:00:05 PDT
