X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2FCMakeLists.txt;h=760269e7858f916da78d1dd76dd98ac54d3e3ef4;hb=f19e9bc0fb51e29ecaa5427e39ebb182bd578a02;hp=17a7ef666e3aa4b7a6afb612bffd6af199839172;hpb=ffd054c36c10fe2229fd5987ea0ab328ef3bbd3a;p=unres.git

diff --git a/source/cluster/wham/src/CMakeLists.txt b/source/cluster/wham/src/CMakeLists.txt
index 17a7ef6..760269e 100644
--- a/source/cluster/wham/src/CMakeLists.txt
+++ b/source/cluster/wham/src/CMakeLists.txt
@@ -35,6 +35,7 @@ set(UNRES_CLUSTER_WHAM_SRC0
 	rescode.f
 	setup_var.f
 	srtclust.f
+	ssMD.F
 	timing.F
 	track.F
 	wrtclust.f
@@ -50,6 +51,7 @@ set(UNRES_CLUSTER_WHAM_PP_SRC
 	probabl.F
 	read_coords.F
 	readrtns.F
+	ssMD.F
 	timing.F
 	track.F
 	work_partition.F
@@ -72,8 +74,29 @@ endif(UNRES_WITH_MPI)
 
 set_property(SOURCE ${UNRES_CLUSTER_WHAM_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} )
 
-set(CPPFLAGS "PROCOR -DSPLITELE -DPROCOR -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
+#=========================================
+#  Settings for GAB force field
+#=========================================
+if(UNRES_MD_FF STREQUAL "GAB" )
+   # set preprocesor flags   
+   set(CPPFLAGS "PROCOR  -DSPLITELE -DCRYST_BOND  -DCRYST_THETA -DCRYST_SC  -DSCCORPDB" )
+
+#=========================================
+#  Settings for E0LL2Y force field
+#=========================================
+elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
+   # set preprocesor flags   
+   set(CPPFLAGS "PROCOR  -DSPLITELE -DSCCORPDB" )
+endif(UNRES_MD_FF STREQUAL "GAB")
 
+#=========================================
+# Additional flags
+#=========================================
+set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN -DCLUST" )
+
+#=========================================
+# Compiler specific flags
+#=========================================
 if (Fortran_COMPILER_NAME STREQUAL "ifort")
   # Add ifort preprocessor flags
   set(CPPFLAGS "${CPPFLAGS} -DPGI")