
Welcome to antechamber: molecular input file processor.

acdoctor mode is on: check and diagnosis problems in the input file.
-- Check Format for mol2 File --
   Status: pass
Info: Finished reading file (testsirius4.mol2).
-- Check Unusual Elements --
   Status: pass
-- Check Open Valences --
   Status: pass
-- Check Geometry --
      for those bonded   
      for those not bonded   
   Status: pass
-- Check Weird Bonds --
   Status: pass
-- Check Number of Units --
   Status: pass
acdoctor mode has completed checking the input file.

Running: /home/ab/amber16/bin/bondtype -j full -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac
Info: Bond types are assigned for valence state (8) with penalty (1).

Running: /home/ab/amber16/bin/atomtype -i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff
Info: Total number of electrons: 530; net charge: 4

Running: /home/ab/amber16/bin/sqm -O -i sqm.in -o sqm.out

Running: /home/ab/amber16/bin/am1bcc -i ANTECHAMBER_AM1BCC_PRE.AC -o ANTECHAMBER_AM1BCC.AC -f ac -p /home/ab/amber16/dat/antechamber/BCCPARM.DAT -s 2 -j 1

Running: /home/ab/amber16/bin/atomtype -f ac -p bcc -o ANTECHAMBER_AM1BCC.AC -i ANTECHAMBER_AM1BCC_PRE.AC

Running: /home/ab/amber16/bin/prepgen -i ANTECHAMBER_PREP.AC -f int -o ./prep/testsirius4.prepin -rn "UNK" -rf molecule.res

