X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Flocal%2Fpdb2int%2Funres.csh;fp=examples%2Funres%2FCSA%2FGAB%2Flocal%2Fpdb2int%2Funres.csh;h=8dd1688c7133c1e3524c8b7938f68c0254aadd1c;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30

diff --git a/examples/unres/CSA/GAB/local/pdb2int/unres.csh b/examples/unres/CSA/GAB/local/pdb2int/unres.csh
new file mode 100755
index 0000000..8dd1688
--- /dev/null
+++ b/examples/unres/CSA/GAB/local/pdb2int/unres.csh
@@ -0,0 +1,25 @@
+#!/bin/csh -f
+
+setenv FGPROCS 1
+setenv POT GB
+setenv PREFIX 1l2y_pdb
+setenv OUT1FILE NO
+#-----------------------------------------------------------------------------
+setenv UNRES_BIN /users/bartek/UNRESPACK/unres/bin/unres/CSA/unres_ifort_csa_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 $*