Hi everyone
I want to create topology and coordinate file. When I run the below commands
antechamber -i 12.pdb -fi pdb -o 12.mol2 -fo mol2 -c bcc -s 2
It display the below output
Running: /opt/apps/amber/10/openmpi-mkl/bin/bondtype -j full -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac
Info: Bond types are assigned for valence state 1 with penalty of 1
Running: /opt/apps/amber/10/openmpi-mkl/bin/atomtype -i
ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff
Total number of electrons: 171; net charge: 0
INFO: Number of electrons is odd: 171
Please check the total charge (-nc flag) and spin multiplicity (-m flag)
Running: /opt/apps/amber/10/openmpi-mkl/bin/mopac.sh
Error: unable to find mopac charges in mopac.out
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Received on Fri Jun 23 2017 - 22:00:02 PDT
