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
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Received on Thu Sep 01 2016 - 06:00:02 PDT
