#! /bin/tcsh

# Computes an estimate of the hbond energy of the selection specified with -sel
# 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 -hpar ../hbonds/par_hbond.inp \
-psf rh_protein+hbonds.psf -dcd rh_iso.dcd -sel within5.sel -hbond

