GROMACS version:2020
GROMACS modification: Yes/No
I need to install gromacs with double precision.
I’v tried to install gromacs 20.1 (double precision) on Ubuntu 20.04 by using:
sudo cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_DOUBLE=ON
Once I used gmx command, I got:
Command ‘gmx’ not found, but can be installed with:
sudo apt install gromacs
But when I installed by using:
sudo cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
it worked properly.
What should I do?
Any help will be highly appreciated.