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wham cluster newcorr -DFIVEDIAG
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Mon, 30 Mar 2020 12:22:55 +0000 (14:22 +0200)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Mon, 30 Mar 2020 12:22:55 +0000 (14:22 +0200)
source/cluster/wham/src-HCD-5D/CMakeLists.txt patch | blob | history
source/wham/src-HCD-5D/CMakeLists.txt patch | blob | history

diff --git a/source/cluster/wham/src-HCD-5D/CMakeLists.txt b/source/cluster/wham/src-HCD-5D/CMakeLists.txt
index a932174..736f403 100644 (file)
--- a/source/cluster/wham/src-HCD-5D/CMakeLists.txt
+++ b/source/cluster/wham/src-HCD-5D/CMakeLists.txt
@@ -123,7 +123,7 @@ elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
 elseif(UNRES_MD_FF STREQUAL "4P")
   set(CPPFLAGS "SPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB -DFOURBODY" )
 elseif(UNRES_MD_FF STREQUAL "NEWCORR")
-  set(CPPFLAGS "PROCOR  -DSPLITELE -DCORRCD -DNEWCORR" )
+  set(CPPFLAGS "PROCOR  -DSPLITELE -DCORRCD -DNEWCORR -DFIVEDIAG" )
 endif(UNRES_MD_FF STREQUAL "GAB")
 
 #=========================================
diff --git a/source/wham/src-HCD-5D/CMakeLists.txt b/source/wham/src-HCD-5D/CMakeLists.txt
index f4ca643..aa99003 100644 (file)
--- a/source/wham/src-HCD-5D/CMakeLists.txt
+++ b/source/wham/src-HCD-5D/CMakeLists.txt
@@ -154,7 +154,7 @@ elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
 elseif(UNRES_MD_FF STREQUAL "4P")
   set(CPPFLAGS "SPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB -DFOURBODY" )
 elseif(UNRES_MD_FF STREQUAL "NEWCORR")
-  set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DNEWCORR -DCORRCD" )
+  set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DNEWCORR -DCORRCD -DFIVEDIAG" )
 endif(UNRES_MD_FF STREQUAL "GAB")
 
 #=========================================
UNRESPACK 3.x