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

setenv POT GB
setenv PREFIX 4P5_iter33_3_i3

set DD = /users/bartek/UNRESPACK/unres/PARAM
set BIN = /users/bartek/UNRESPACK/unres/bin/unres/CSA/unres_csa_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_631Gdp.parm
setenv TORDPAR $DD/torsion_double_631Gdp.parm
setenv ELEPAR $DD/electr_631Gdp.parm
setenv SIDEPAR $DD/sc_GB_opt.4P5_iter33_3r
setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
setenv SCCORPAR $DD/rotcorr_AM1.parm
setenv SCPPAR $DD/scp.parm

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

$BIN -p4wd `pwd`

