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 - 05:30:04 PDT
