GROMACS version: 2019
GROMACS modification: Yes/No
Here post your question The GROMACS 2018 version was installed on my PC, can I install GROMACS 2019 version along with the 2018 version on the same PC by giving a different path? Can I run MD simulation? is it the right way, will it give any errors while analysis? Your suggestions will be of great help to me
Looking forward to hearing from you
Hello,
You can use -DCMAKE_INSTALL_PREFIX=somedirectory when calling cmake to set the installation directory. Then run the binaries or source GMXRC from there.
See this page for more details.
Kind regards,
Petter
Thank you very for your suggestions. Can I install the 2019 and 2018 both version on one PC?
I use below commands:
tar xfz gromacs-2019.tar.gz
cd gromacs-2019
mkdir build
cd build
cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
make
make check
sudo make install
source /usr/local/gromacs/bin/GMXRC
Which lines should I modify in the above command ?
The solution was already given:
Fine sir, Thank you