#!/bin/bash
#SBATCH --mem-per-cpu=2000M
#SBATCH -N 1
#SBATCH -n 24
MOPAC_LICENSE=/home/stef/bin/mopac2012
MOPAC=/home/stef/bin/mopac2012/MOPAC2012.exe
export MOPAC_LICENSE

srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/2KE1/ligand/outputFileName_ca.mpc &
srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/2KE1/ligand/outputFileName_no.mpc &
srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/A41/ligand/outputFileName_ca.mpc &
srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/A41/ligand/outputFileName_no.mpc &

srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/A46/ligand/outputFileName_ca.mpc &
srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/A46/ligand/outputFileName_no.mpc &
srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/A47/ligand/outputFileName_ca.mpc &
srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/A47/ligand/outputFileName_no.mpc &

srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/P148/ligand/outputFileName_ca.mpc &
srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/P148/ligand/outputFileName_no.mpc &
srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/P149/ligand/outputFileName_ca.mpc &
srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/P149/ligand/outputFileName_no.mpc &

srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/P162/ligand/outputFileName_ca.mpc &
srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/P162/ligand/outputFileName_no.mpc &
srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/P233/ligand/outputFileName_ca.mpc &
srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/P233/ligand/outputFileName_no.mpc &

srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/P278/ligand/outputFileName_ca.mpc &
srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/P278/ligand/outputFileName_no.mpc &
srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/P294/ligand/outputFileName_ca.mpc &
srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/P294/ligand/outputFileName_no.mpc &

srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/P427/ligand/outputFileName_ca.mpc &
srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/P427/ligand/outputFileName_no.mpc &
srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/P73/ligand/outputFileName_ca.mpc &
srun -n 1 $MOPAC /home/stef/fragment/automatize/TWi+LWi/MOZYME_EPS/PM7/TWi+LWi/P73/ligand/outputFileName_no.mpc &

wait
