#!/bin/bash -f 

rst="117_1XCK_hepta_prod30.rst"

prmtop="1XCK_hept_sol.prmtop"
in="tmp.ptraj"


for x in 0 1 2 
do
for y in 0 1 2
do
for z in 0 1 2
do
	rm $in
	echo 'trajin' $rst >> ${in}
	echo 'trajout img2_'$x$y$z'.pdb pdb' >> ${in}
	echo 'center :1-3668'  >> ${in}
	echo 'strip :WAT' >> ${in}
	echo 'image familiar xoffset' $x 'yoffset' $y 'zoffset' $z  >> ${in}
	
	ptraj $prmtop $in
	mv img2_$x$y$z.pdb.1 img2_$x$y$z.pdb 
done
done 
done