Hi,
Thank you for the help. I tried this syntax also but still same error
exist.
What may be the possible solution?
Thanks & Regards
Sneha Rai
Ph.D. Research Scholar
Computational and Structural Biology Lab
Division of Biotechnology
NSIT
On Thu, Sep 1, 2016 at 6:12 PM, Marcelo Andrade Chagas <
andrade.mchagas.gmail.com> wrote:
> Hi,
>
> tries with the following syntax
>
> antechamber -fi pdb -fo mol2 -i LIG.pdb -o LIG.mol2 -c bcc -pf y -nc 0
>
> Marcelo Andrade Chagas, MSc
> (PhD student)
> Laboratório de Química Computacional e Modelagem Molecular - LQC-MM
> * http://lqcmm.qui.ufmg.br/
> Departamento de Química da Universidade Federal de Minas Gerais - UFMG
> Tel:(31)3409-5776
>
> 2016-09-01 9:29 GMT-03:00 Sneha Rai <rai.sneha51.gmail.com>:
>
> > Dear Amber users,
> >
> > I am using antechamber to parameterize the ligand, however, I am
> > encountering a problem while using following command. Kindly, suggest
> > possible solution for this problem.
> >
> > antechamber -i LIG.pdb -fi pdb -o LIG.mol2 -fo mol2 -c bcc -s 2
> >
> > Running: /opt/apps/amber/10/openmpi-mkl/bin/bondtype -j full -i
> > ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac
> >
> > Running: /opt/apps/amber/10/openmpi-mkl/bin/atomtype -i
> ANTECHAMBER_AC.AC0
> > -o ANTECHAMBER_AC.AC -p gaff
> >
> > Total number of electrons: 210; net charge: 0
> >
> > Running: /opt/apps/amber/10/openmpi-mkl/bin/mopac.sh
> > Error: unable to find mopac charges in mopac.out
> >
> > Thanks & Regards
> >
> > Sneha Rai
> > Ph.D. Research Scholar
> > Computational and Structural Biology Lab
> > Division of Biotechnology
> > NSIT
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Sep 01 2016 - 11:00:02 PDT
