Send your input ligand file will check with mopac or with the latest
version.
On 1 September 2016 at 17:59, Sneha Rai <rai.sneha51.gmail.com> wrote:
> 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 Fri Sep 02 2016 - 00:00:03 PDT
