#!/bin/csh -f
# Script to run the program unresCSA on linux with MPICH/PBS (parallel version).
#

setenv POT LJ
setenv PREFIX protA

set DD = ../../../../../PARAM
set BIN = ../../../../../bin/unres/CSA/unres_csa-CASP3_ifort_mpich-1.2.7p1.exe
#---------------------------------
setenv BONDPAR $DD/bond.parm
setenv THETPAR $DD/thetaml.5parm
setenv ROTPAR $DD/scgauss.parm
setenv TORPAR $DD/torsion_cryst.parm
setenv TORDPAR $DD/torsion_double_631Gdp.parm
setenv ELEPAR $DD/electr.parm
setenv SIDEPAR $DD/scinter_$POT.parm
setenv FOURIER $DD/fourier_GAP.parm
setenv SCPPAR $DD/scp.parm
setenv FOURIER $DD/fourier_GAP.parm
setenv SCCORPAR $DD/rotcorr_AM1.parm

# Pattern database
setenv PATTERN $DD/patterns.cart
#--------------------------------------------

$BIN $*

