Merge branch 'devel' into feature-ga

[unres.git] / examples / unres / CSA / CASP3 / ENERGY / unres_casp3.csh

diff --git a/examples/unres/CSA/CASP3/ENERGY/unres_casp3.csh b/examples/unres/CSA/CASP3/ENERGY/unres_casp3.csh
index 96e24d3..e414f04 100755 (executable)
--- a/examples/unres/CSA/CASP3/ENERGY/unres_casp3.csh
+++ b/examples/unres/CSA/CASP3/ENERGY/unres_casp3.csh
@@ -5,9 +5,10 @@
 setenv POT LJ
 setenv PREFIX protA
 
-set DD = ../../PARAM
-set BIN = $HOME/UNRES/NEW/bin/unres_ifc6_cryst_tor.exe
+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
@@ -16,10 +17,12 @@ 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
 #--------------------------------------------
 
-$BIN -p4wd `pwd`
+$BIN $*