Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / ENERGY / unres.csh

diff --git a/examples/unres/ENERGY/unres.csh b/examples/unres/ENERGY/unres.csh
new file mode 100755 (executable)
index 0000000..e0a619b
--- /dev/null
+++ b/examples/unres/ENERGY/unres.csh
@@ -0,0 +1,26 @@
+#/bin/tcsh -f
+setenv FGPROCS 1
+setenv POT GB
+setenv PREFIX 4P5_iter33_3_i3
+setenv OUT1FILE NO
+#-----------------------------------------------------------------------------
+setenv UNRES_BIN /users2/czarek/UNRES/GIT/unres/bin/unres/CSA/unres_csa_gfort_MPICH_4P.exe
+setenv LD_LIBRARY_PATH /users/software/mpich2-1.4.1p1_gnu/lib:$LD_LIBRARY_PATH
+#-----------------------------------------------------------------------------
+setenv DD /users2/czarek/UNRES/GIT/unres/PARAM 
+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
+setenv PATTERN $DD/patterns.cart
+setenv PRINT_PARM NO
+#-----------------------------------------------------------------------------
+
+$UNRES_BIN
+