#!/bin/sh -f
#
echo '                                                                      '
echo '----------------------------------------------------------------------'
echo '                                                                      '
echo '                 TOP  -- Internet version                             '
echo '            for automatic structure comparisons                       '
echo '                                                                      '
echo '----------------------------------------------------------------------'
echo '                                                                      '
# first check if you have TOP3D.PARM in your direcotry
if test ! -e TOP.PARM ; then  
   cp $CLIBD'/TOP.PARM' . 
   echo copy $CLIBD'/TOP.PARM' here
   echo ' '
fi
#  if no arguments given, ask where is mol1?
if test $# -lt 1 ; then
  echo ' '
  echo "File name or PDB code for Mol 1: "
  echo -n "(examples: xxx.pdb or 2cnd@pdb) "
#  mol1=$<
  read mol1
else
  mol1=$1
fi
echo Mol1 PDB file name: $mol1
if  test $# -lt 2 ; then
  echo ' '
  echo "File name or PDB code for Mol 2: "
  echo -n "(examples: xxx.pdb or 2cnd@pdb) "
#  mol2=$<
  read mol2
else
  mol2=$2
fi
echo Mol2 PDB file name: $mol2
echo ' '
#
# Now you can run TOP
grep SITE TOP.PARM > top.inp
echo mol1 $mol1 >> top.inp
echo mol2 $mol2 >> top.inp
tail -n 2 TOP.PARM >> top.inp
topp < top.inp