#!/bin/sh

# build prepares the files in the CHARMM format
echo '**********************************************************************'
echo  
echo  ' make sure that the build script as well as the segmented pdb files'
echo  ' are in the working directory'
echo  'to execute type ./build '
echo '**********************************************************************'

# Assign start values to variables 

protein="ProteinX"; # name of protein to use in titles
probe="CMTSL"; # name of label to use in titles
xwater="no"; #whether or not a x-tal water segment is to be included
stem="build";

	segs=`awk '{print $1}' numsegs`
	echo $segs
	charmm < $SL_MOD/charmm/charmm_inp/build.inp \
  		stem=$stem protein=$protein probe=$probe site=$element \
		segs=$segs xwater=$xwater \
               > build.out
