#!/bin/sh
if [ $# -ne 2 ];then echo please input atom number and amino acid numbers!!;exit;fi
if [ -s koko -a -s 1.pdb -a -s 1.top -a -s md.mdp ];then
ls|grep '\.xyz'>listxyz
babelunix listxyz xyz pdb
sed 's/xyz/pdb/' listxyz >list
mchangename list 1.pdb $1 $2 
mresort list 1.pdb  $1 $2
mdemo list 1.top md.mdp

else echo Needed file miss!! Please prepare 1.pdb 1.top md.mdp and koko !! 
fi
