[gmx-users] installation of gromacs as parallel in a system without access to root

[Atila Petrosian]

Dear Mark,

Thanks for your quick answer.

In this case, after using your suggested command:

cmake .. -DGMX_GPU=ON -DGMX_MPI=ON
-DCMAKE_INSTALL_PREFIX=/home/marydoe/programs

Should I use following commands?

make check
make install
source /home/marydoe/programs/gromacs/bin/GMXRC

Are these commands enough for complete installation?

Best,
Atila