#! /bin/tcsh

# Generates a new psf-file containing donors and acceptors.
# Patches can be applied using "-pat patches.txt" while the format used 
# in the file is the same as for psfgen.
# If you don't specify an output file name with the -o  option '+hbonds.psf'
# will automatically appended to the basename of the psf input file.

set MDE_PATH=../src
                                            
# determine type of machine, and run appropriate executable
set MACHARCH=`uname -s`
switch ($MACHARCH)
case *IRIX*:
    set MDENERGY=hbondpsf.IRIX
breaksw
case *Linux*:
    set MDENERGY=hbondpsf.Linux
breaksw
case *SunOS*:
    set MDENERGY=hbondpsf.SunOS
breaksw
endsw
set MDE_RUN="$MDE_PATH"/"$MDENERGY"
                                                                                
                                                              
               
$MDE_RUN  -top top_all27_prot_lipid_LYR_noHH.inp \
  -hpar ../hbonds/par_hbond.inp -pat patches.txt -psf rh_protein.psf 

