# apbs calculation for biotin streptavin complex

for i in {0..201};
do
	if [ -f /tmp/m54e/cha/ah.pqr.$i ]; 
	then
		echo "======================================="
		echo "Computing APBS: $i"
		cp /tmp/m54e/cha/ah.pqr.$i a.pqr
		cp /tmp/m54e/chb/bh.pqr.$i b.pqr
		cp /tmp/m54e/comp/abh.pqr.$i comp.pqr
		
		apbs comp.in > apbs.log.$i
	fi
done