X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=CMakeLists.txt;h=13cfec2e70d9db32ba178173349911cb7089dbb4;hb=fe3f32c237fe6dbd8dc612f77bf2dd7afb58965b;hp=5b824dd9202ade0f02655742b040a903dd3ec294;hpb=f9e536df1fd1627429123fe8990edfcdc2cc1a9a;p=unres.git diff --git a/CMakeLists.txt b/CMakeLists.txt index 5b824dd..13cfec2 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -116,13 +116,13 @@ set(CMAKE_INSTALL_PREFIX "${CMAKE_SOURCE_DIR}/bin" CACHE PATH "Binary install di # Set force field if (NOT UNRES_FF) - set(UNRES_MD_FF "GAB" CACHE STRING "Choose the force field, options are: GAB E0LL2Y" ) + set(UNRES_MD_FF "E0LL2Y" CACHE STRING "Choose the force field, options are: GAB E0LL2Y" ) set_property(CACHE UNRES_MD_FF PROPERTY STRINGS "GAB" "E0LL2Y") endif (NOT UNRES_FF) # Set CSA version force field if (NOT UNRES_CSA_FF) - set(UNRES_CSA_FF "4P" CACHE STRING "Choose the CSA version force field, options are: CASP3 ALPHA BETA ALPHABETA CASP5 3P 4P" ) + set(UNRES_CSA_FF "E0LL2Y" CACHE STRING "Choose the CSA version force field, options are: CASP3 ALPHA BETA ALPHABETA CASP5 3P 4P" ) set_property(CACHE UNRES_CSA_FF PROPERTY STRINGS "CASP3" "ALPHA" "BETA" "ALPHABETA" "CASP5" "3P" "4P" ) endif (NOT UNRES_CSA_FF) @@ -133,6 +133,7 @@ option(UNRES_WITH_MPI "Choose whether or not to use MPI library" ON ) # Piasek cluster devel stuff option(UNRES_NA_MMCE "Kompilujemy na mmmce?" OFF ) +option(UNRES_DFA "Choose whether or not to use DFA" OFF ) #================================= # MPI stuff @@ -196,7 +197,6 @@ if(UNRES_NA_MMCE) add_subdirectory(source/cluster/unres/src) add_subdirectory(source/xdrfpdb/src) add_subdirectory(source/xdrfpdb/src-M) - add_subdirectory(source/maxlik/src_CSA) else() add_subdirectory(source/unres/src_MD) @@ -212,6 +212,6 @@ else() add_subdirectory(source/cluster/unres/src) add_subdirectory(source/xdrfpdb/src) add_subdirectory(source/xdrfpdb/src-M) - add_subdirectory(source/maxlik/src_CSA) + add_subdirectory(source/unres-dock) endif(UNRES_NA_MMCE)