add_executable(dssp dssp.cpp dssptools.cpp) include_directories( ${GROMACS_INCLUDE_DIRS} #${GROMACS_INCLUDE_DIRS}/../ #not working ${GROMACS_INCLUDE_DIRS}/../src #working ${CMAKE_SOURCE_DIR} ) set_target_properties(dssp PROPERTIES COMPILE_FLAGS "${GROMACS_CXX_FLAGS}") target_link_libraries(dssp ${GROMACS_LIBRARIES})