X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMD%2FDYN_SS%2Fdyn_ss_from_pdb%2Fmchinchio%2Funres_eval.csh;fp=examples%2Funres%2Fnew%2FMD%2FDYN_SS%2Fdyn_ss_from_pdb%2Fmchinchio%2Funres_eval.csh;h=3095e6c9acf371287d19749fbbd6aa634189110d;hb=d71184aad2eded5a73627e8bc9296597319c9e59;hp=0000000000000000000000000000000000000000;hpb=b09212e2812655f95553a0f781fe148994a2091c;p=unres.git

diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/unres_eval.csh b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/unres_eval.csh
new file mode 100755
index 0000000..3095e6c
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/unres_eval.csh
@@ -0,0 +1,24 @@
+#!/bin/csh
+setenv FGPROCS 1
+setenv POT GB
+setenv PREFIX small
+setenv OUT1FILE NO
+#-----------------------------------------------------------------------------
+setenv UNRES_BIN ./unres_REMD_intel.exe 
+#-----------------------------------------------------------------------------
+setenv DD /users/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.1gab_3S_qclass5no310-shan2-sc-16-10-8k
+setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
+setenv SCPPAR $DD/scp.parm
+setenv PATTERN $DD/patterns.cart
+setenv PRINT_PARM NO
+#-----------------------------------------------------------------------------
+
+$UNRES_BIN $*