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new SCCORPAR for ctest
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Sat, 16 Feb 2013 03:56:34 +0000 (04:56 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Sat, 16 Feb 2013 03:56:34 +0000 (04:56 +0100)
source/unres/src_MD/CMakeLists.txt patch | blob | history

diff --git a/source/unres/src_MD/CMakeLists.txt b/source/unres/src_MD/CMakeLists.txt
index 94d735a..8f25ae4 100644 (file)
--- a/source/unres/src_MD/CMakeLists.txt
+++ b/source/unres/src_MD/CMakeLists.txt
@@ -334,7 +334,7 @@ export ELEPAR=$DD/electr_631Gdp.parm
 export SIDEPAR=$DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k
 export FOURIER=$DD/fourier_opt.parm.1igd_hc_iter3_3
 export SCPPAR=$DD/scp.parm
-export SCCORPAR=$DD/rotcorr_AM1.parm
+export SCCORPAR=$DD/sccor_pdb_shelly.dat
 export PATTERN=$DD/patterns.cart
 #-----------------------------------------------------------------------------
 $UNRES_BIN
UNRESPACK 3.x