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src-M MREMD LANG correction
[unres.git]
/
CMakeLists.txt
diff --git
a/CMakeLists.txt
b/CMakeLists.txt
index
5b824dd
..
13cfec2
100644
(file)
--- 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 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_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)
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 )
# 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
#=================================
# 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/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)
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/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)
endif(UNRES_NA_MMCE)