#!/bin/bash
rm dbi.dat
rm psf.dat
rm ssr.dat

for index in 3 5 7 9 11 13 15;
do
	sed 's/NUM_CLUS/'${index}'/g' cluster_MAL.ptraj > cluster_job.ptraj
	nohup ptraj ../../1XCK_chainA_noWAT.prmtop cluster_job.ptraj > job${index} 

	grep "#DBI" 1xck_cluster_AL_${index}.txt >> dbi.dat
        grep "#pSF" 1xck_cluster_AL_${index}.txt >> psf.dat
        grep "#SSR" 1xck_cluster_AL_${index}.txt >> ssr.dat

	grep "#Consensus " 1xck_cluster_AL_${index}.txt > cons.tmp
	awk '{ print $3 }' cons.tmp > consensus.dat
	python split.py
	cp consensus_final.dat consensus_${index}.dat
done