Added prefixes for running KIMMDY on HPC Clusters that require srun/mpirun for gromacs binaries#517

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DenisKiesewetter wants to merge 1 commit intograeter-group:mainfrom DenisKiesewetter:srun_mpcdf

+27-6

Commits on Feb 24, 2025

added fixes for bugs that casued error due to no integrated prefix for gmx_mpi on mpcdf. grompp_prefix will now be used (if not None) at these non-mdrun gmx calls. Added new parameters to yaml sche…
DenisKiesewetter
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