# you may not use this file except in compliance with the License. # You may obtain a copy of the License at # http://www.apache.org/licenses/LICENSE-2.0 ...
#SINGULARITY_IMAGE="/apps/singularity/gromacs-plumed-mpich.sif" #SINGULARITY_IMAGE="/apps/singularity/gromacs-plumed-openmp.sif" pre_gmx="singularity run --nv -B ...
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