#! /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 bpti.psf -pdb bpti.pdb -dcd bpti.dcd \
  -all -excl scaled1-4 -scaled14fac 1.0 -fixed resid-lt-10.sel
