#!/bin/bash

grep " A " 1XCK_E434K.pdb > A.prot.pdb
grep " B " 1XCK_E434K.pdb > B.prot.pdb

/net/bccs/cbu/linux64/amber10/bin/tleap -f build_noWAT_wATP
/net/bccs/cbu/linux64/amber10/bin/tleap -f build_noWAT
/net/bccs/cbu/linux64/amber10/bin/tleap -f build_noWAT_wATP_mb2