#!/bin/bash

PRMTOP="../1XCK_sol.prmtop"
TRAJ="heile_driten.nc"
PREFIX="116_1XCK_apo_temp350_prod"
SUFFIX_ORIG=".mdcrd"
SUFFIX_REIMG="_reimg.nc"

C=1
END=5
#OFFSET=' 1 100 50 '
#type="inter_ring_distance"
type="reimage"
#type="rmsd"
#type="short"
#type="cluster"
#type="mmtsb_clustering"
#type=qha
#type=correl
#type=proj
ptraj_file=${type}.ptraj

if [ -f $ptraj_file ]; then
	rm $ptraj_file
fi

let END=${END}+1
while [ $C -lt $END ]; do
	traj_orig=${PREFIX}${C}${SUFFIX_ORIG}
	traj_reimg=${PREFIX}${C}${SUFFIX_REIMG}
	
	if [ -f $traj ]; then
		echo 'trajin '${traj_orig} $OFFSET >> $ptraj_file 
	fi
	
	let C=${C}+1

done

echo `cat $type >> $ptraj_file`

ptraj $PRMTOP $ptraj_file