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HITS-MCM / gromacs-ramd

Random Acceleration Molecular Dynamics in GROMACS
GNU Lesser General Public License v2.1
33 stars 7 forks source link

install #41

Open haoxuanluo731 opened 4 months ago

haoxuanluo731 commented 4 months ago

i want to know how to install gromacs-ramd，provide website do not have clear install step

BerndDoser commented 4 months ago

In the README, we provide a link to the general GROMACS installation instructions because there is no difference except for the code repository.

The following steps are a good starting point, but for more details, please visit: https://manual.gromacs.org/documentation/current/install-guide/index.html

wget https://github.com/HITS-MCM/gromacs-ramd/archive/refs/tags/gromacs-2024.1-ramd-2.1.tar.gz
tar xzf gromacs-2024.1-ramd-2.1.tar.gz 
cd gromacs-ramd-gromacs-2024.1-ramd-2.1
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
haoxuanluo731 commented 4 months ago

thank you