High-Performance Molecular Dynamics Simulation Launcher

Create a sophisticated Bash script for managing and distributing molecular dynamics simulation workloads across heterogeneous HPC clusters. The script must: 1) Dynamically generate GROMACS or NAMD input files based on predefined molecular parameters, 2) Implement intelligent job scheduling across multiple compute nodes, 3) Monitor simulation progress and automatically restart failed jobs, 4) Generate real-time performance metrics and resource utilization reports, 5) Support multiple simulation protocols (NVT, NPT ensembles), 6) Integrate with job management systems like SLURM or PBS.