Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / CSA / GAB / global / restrained / unres.csh

diff --git a/examples/unres/CSA/GAB/global/restrained/unres.csh b/examples/unres/CSA/GAB/global/restrained/unres.csh
new file mode 100755 (executable)
index 0000000..7c1f322
--- /dev/null
+++ b/examples/unres/CSA/GAB/global/restrained/unres.csh
@@ -0,0 +1,25 @@
+#!/bin/csh -f
+
+setenv FGPROCS 1
+setenv POT GB
+setenv PREFIX 1l2y_csa
+setenv OUT1FILE NO
+#-----------------------------------------------------------------------------
+setenv UNRES_BIN /users/bartek/UNRESPACK/unres/bin/unres/CSA/unres_csa_ifort_mpich-1.2.7p1.exe
+#-----------------------------------------------------------------------------
+setenv DD /users/bartek/UNRESPACK/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.1gab_3S_qclass5no310-shan2-sc-16-10-8k
+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 $*