#! /bin/tcsh

# Computes the dihedral energy of the specified selection 
# for each frame of the dcd file.

set MDE_PATH=../src                                                                                                                                             
              
# determine type of machine, and run appropriate executable
set MACHARCH=`uname -s`
switch ($MACHARCH)
case *IRIX*:
    set MDENERGY=mdenergy.IRIX
breaksw
case *Linux*:
    set MDENERGY=mdenergy.Linux
breaksw
case *SunOS*:
    set MDENERGY=mdenergy.SunOS
breaksw
endsw
set MDE_RUN="$MDE_PATH"/"$MDENERGY"
                                                                                                                                             
              
$MDE_RUN  -par par_all27_prot_lipid_ret.inp -psf rh_protein.psf \
-end 50 -pdb rh_iso.pdb -pdb rh_iso.pdb -dcd rh_iso.dcd -dcd rh_iso.dcd  \
-bond

