X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCMakeLists.txt;h=a228d16977406f47ac5db36d10a925b420beb3ac;hb=9a26354af2c68a12347d7f85ad158e3ba22fdd7d;hp=8d21134a4e396767d38da44794910845250100f8;hpb=9b46e3da575cb549a4070ee7d0c75efc729951e6;p=unres.git

diff --git a/source/unres/src_MD/CMakeLists.txt b/source/unres/src_MD/CMakeLists.txt
index 8d21134..a228d16 100644
--- a/source/unres/src_MD/CMakeLists.txt
+++ b/source/unres/src_MD/CMakeLists.txt
@@ -72,6 +72,7 @@ set(UNRES_MD_SRC0
 	rmsd.F 
 	sc_move.F 
 	sort.f 
+	ssMD.F
 	stochfric.F 
 	sumsld.f 
 	surfatom.f 
@@ -79,7 +80,6 @@ set(UNRES_MD_SRC0
 	timing.F
 	thread.F 
 	unres.F
-	ssMD.F
 )
 
 set(UNRES_MD_SRC3 
@@ -122,6 +122,7 @@ set(UNRES_MD_PP_SRC
 	regularize.F 
 	rmsd.F 
 	sc_move.F 
+	ssMD.F
 	stochfric.F 
 	test.F 
 	thread.F 
@@ -301,7 +302,7 @@ target_link_libraries( UNRES_BIN-MD xdrf )
 #=========================================
 # Install Path
 #=========================================
-install(TARGETS UNRES_BIN-MD DESTINATION ${CMAKE_INSTALL_PREFIX}) 
+install(TARGETS UNRES_BIN-MD DESTINATION ${CMAKE_INSTALL_PREFIX}/unres/MD) 
 
 #=========================================
 # TESTS 
@@ -327,6 +328,13 @@ install(TARGETS UNRES_BIN-MD DESTINATION ${CMAKE_INSTALL_PREFIX})
 #=========================================
 #  test_single_ala.sh
 #=========================================
+#
+# Set parmaeters depending on force field
+if(UNRES_MD_FF STREQUAL "GAB")
+   set(UNRES_BONDPAR "bond.parm")	
+elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
+   set(UNRES_BONDPAR "bond_AM1.parm")
+endif(UNRES_MD_FF STREQUAL "GAB")
 
 FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_single_ala.sh
 "#!/bin/sh
@@ -336,7 +344,7 @@ export PREFIX=ala10
 UNRES_BIN=${CMAKE_BINARY_DIR}/bin/${UNRES_BIN}
 #-----------------------------------------------------------------------------
 DD=${CMAKE_SOURCE_DIR}/PARAM
-export BONDPAR=$DD/bond.parm
+export BONDPAR=$DD/${UNRES_BONDPAR}
 export THETPAR=$DD/thetaml.5parm
 export ROTPAR=$DD/scgauss.parm
 export TORPAR=$DD/torsion_631Gdp.parm