Get the latest version of your compiler.
Check you have CMake version 2.8.x or later.
Unpack the GROMACS tarball.
Make a separate build directory and change to it.
Run CMake with the path to the source as an argument
Run make and make install
Or, as a sequence of commands to execute:
tar xfz gromacs-4.6.1.tar.gz
cd gromacs-4.6.1
mkdir build
cd build
cmake .. -DGMX_BUILD_OWN_FFTW=ON
make
sudo make install
http://www.gromacs.org/Documentation/Installation_Instructions#GROMACS_installation_guide
If you won't be able to install by this process, then an easy procedure is also there. It is Gromacs 4.0.7 version but works fine. Just install Ubuntu 10.04 LTS operating system in your computer and then from synaptic package manager, you can directly install the Gromacs 4.0.7 by just selecting the package.
Best regards,
Follow this link: http://www.gromacs.org/Documentation/Installation_Instructions_4.5
Follow the instruction in this bioinformatics review: https://bioinformaticsreview.com/20151126/how-to-install-gromacs-5-x-x-on-linux-ubuntu-14-04-lts/
I tried to install gromacs-5.1.4 with the help of review mentioned by Toluwase H.Fatoki. But stuck with the following error:
sudo cmake '/home/cbb/Downloads/gromacs-5.1.4' -DGMX_BUILD_OWN_FFTW=OFF -DREGRESSIONTEST_DOWNLOAD=OFF -DCMAKE_C_COMPILER=gcc -DREGRESSIONTEST_PATH= /home/cbb/Downloads/regressiontests-5.1.4
CMake Error: The source directory "/home/cbb/Downloads/regressiontests-5.1.4" does not appear to contain CMakeLists.txt.
Specify --help for usage, or press the help button on the CMake GUI.
Kindly suggest me how to fix it.
We went through the nightmare as well. Finally, we got a different package.
I do not remember. We gave it up completely and switched over to Schroedinger.
- Badges
- Science topic