X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FMIN%2Funres.csh;fp=examples%2Funres%2FMIN%2Funres.csh;h=7ef92dd17ca7c3478cff322db85fb5d0ee8a7ae9;hb=52187c9365594597457799445140ea830f1141a3;hp=0000000000000000000000000000000000000000;hpb=951f0fe4ce7a66542c398754524d8ae3d9b5dc5a;p=unres.git

diff --git a/examples/unres/MIN/unres.csh b/examples/unres/MIN/unres.csh
new file mode 100755
index 0000000..7ef92dd
--- /dev/null
+++ b/examples/unres/MIN/unres.csh
@@ -0,0 +1,26 @@
+#!/bin/csh
+setenv FGPROCS 1
+setenv POT GB
+setenv PREFIX 1L2Y_min
+setenv OUT1FILE NO
+#-----------------------------------------------------------------------------
+setenv UNRES_BIN ../../../bin/unres/MIN/unres_min_gfortran.exe
+#-----------------------------------------------------------------------------
+setenv DD ../../../PARAM
+setenv BONDPAR $DD/bond_AM1.parm
+setenv THETPAR $DD/theta_abinitio.parm
+setenv THETPARPDB $DD/thetaml.5parm
+setenv ROTPARPDB $DD/scgauss.parm
+setenv ROTPAR $DD/rotamers_AM1_aura.10022007.parm
+setenv TORPAR $DD/torsion_631Gdp.parm
+setenv TORDPAR $DD/torsion_double_631Gdp.parm
+setenv ELEPAR $DD/electr_631Gdp.parm
+setenv SIDEPAR $DD/scinter_${POT}.parm
+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