#!/bin/csh -f

#Tests chamber to ensure it gives the correct output and creates the expected files

#1) Test Chamber
rm -f *.prmtop *.inpcrd *.out *.restrt tmp

# Test for the presence of the 'chamber' program

if ( -x $AMBERHOME/bin/chamber ) then
   #CHARMM CRD FILE
   $AMBERHOME/bin/chamber \
             -top $AMBERHOME/dat/chamber/top_all36_prot.rtf \
             -param $AMBERHOME/dat/chamber/par_all36_prot.prm \
             -str $AMBERHOME/dat/chamber/toppar_water_ions.str \
                  $AMBERHOME/dat/chamber/top_all36_carb.rtf \
                  $AMBERHOME/dat/chamber/par_all36_carb.prm \
             -psf 2b1q-carb-wat-ions.psf -nocmap\
             -crd 2b1q-carb-wat-ions.crd \
             -p prmtop \
             -inpcrd inpcrd >& tmp || goto error

   grep -v "$AMBERHOME" tmp > chamber.out
   ../../dacdif chamber.out.save chamber.out
   ../../dacdif -r 10E-15 prmtop.save prmtop
   ../../dacdif inpcrd.save inpcrd

   exit(0)

else
   echo "Could not find the 'chamber' program. "
   echo "It may happen if you do not compile the serial"
   echo "version of amber."
   echo "=============================================================="
   exit(0)
endif   
error:
echo "  ${0}:  Program error"
exit (1)