GROMACS version:
GROMACS modification: Yes/No
Here post your question Dear all,
Is it necessary to compile GROMACS with MPI+GPU to run REMD calculation? GPU alone does work?
Please see the documentation:
GROMACS version:
GROMACS modification: Yes/No
Here post your question Dear all,
Is it necessary to compile GROMACS with MPI+GPU to run REMD calculation? GPU alone does work?
Please see the documentation: