#!/bin/bash

grep " A " 3FBH.pdb > tmpA.pdb
grep " B " 3FBH.pdb > tmpB.pdb

grep "ATOM" tmpA.pdb > chainA.pdb
grep "ATOM" tmpB.pdb > chainB.pdb

cat chainA.pdb chainB.pdb > complex.pdb

tleap -f build 

ambpdb -p 3FBH_chainAB_noWAT.prmtop < 3FBH_chainAB_noWAT.inpcrd> 3FBH_chainAB_noWAT.amb.pdb