#!/bin/bash
for i in {1..7}; do 
	ep=$(echo "scale=5; 1/$i/$i/$i"  | bc -l )
	#sed "s/1.00000e-00/0$ep/" et.top > v_${i}.top
 	#grompp_d -f md -c box_g -p v_${i}.top -o vg_${i} -maxwarn 1 && mdrun_d -deffnm  vg_${i} -v 
	#grompp_d -f md -c box_l -p v_${i}.top -o v_${i} -maxwarn 1 && mdrun_d -deffnm  v_${i} -v 
	#echo -e "LJ-(SR)\nCoulomb-(SR)\n0" | g_energy -f -b 10  vg_${i} -o eb_${i} > vg_${i}.txt
	#echo -e "LJ-(SR)\nCoulomb-(SR)\n0" | g_energy -f -b 10  v_${i} -o e_${i} > v_${i}.txt	    

echo -n "vg_$i " >>average           
grep 'LJ' vg_${i}.txt >>average      	
grep 'Coulomb'  vg_${i}.txt >>average	
echo -n "vl_$i "   >>average         	
grep 'LJ' v_${i}.txt    >>average    	
grep 'Coulomb'  v_${i}.txt  >>average 	
	
	



done
