GROMACS modification: Yes/No
Here post your question:
i want to do some analysis on membrane bound protein. i want to use CHAP tool for trajactory analysis. But while installing CHAP i am getting error
CMake Error at cmake/Modules/FindGROMACS/FindGROMACS.cmake:71 (find_package):
Could not find a configuration file for package “GROMACS” that is compatible with requested version “2016”.
The following configuration files were considered but not accepted:
/usr/local/gromacs/share/cmake/gromacs/gromacs-config.cmake, version: 5.1
The user manual for CHAP installation says
libgromacs library of the Gromacs molecular dynamics engine in version 2016 or higher. Comprehensive installation instructions for Gromacs can be found here. Please note that for using Gromacs as a library, the underlying FFTW libray may not be installed automatically, i.e. you need to set
-DGMX_BUILD_OWN_FFTW=OFF when running CMake during the Gromacs installation."
my earlier gromacs installation used this statement “cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON”
Do i need to reinstall gromacs with OFF to troubleshoot this error?