Merge pull request #18 from jade-hpc-gpu/amg_gromacs_2

AMG - Corrected gromacs module name
jade-hpc-gpu · Feb 23, 2018 · cecb680 · cecb680
2 parents 2d76699 + 692783b
commit cecb680
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/software/molecular-dynamics/gromacs.rst b/software/molecular-dynamics/gromacs.rst
@@ -31,7 +31,7 @@ Gromacs jobs can run using 1, 4 (half a node), or 8 (full node) GPUs (please see
    #SBATCH -p small
 
    module purge
-   module load gromacs/2018
+   module load gromacs/2018.0
 
    mpirun -np ${SLURM_NTASKS_PER_NODE} --bind-to socket \
           gmx_mpi mdrun -s topol.tpr \