run_analysis.py 379 B

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  1. #!/usr/bin/env python3
  2. from auto_namd.functions import analysis_parser
  3. from auto_namd.job import get_next_job, get_jobs_from_path, create_job_instances
  4. def main(jobs_path, ffs_path, steps, namdbin, params):
  5. jobs_path = abs_path(jobs_path)
  6. job_dirs_l = get_jobs_from_path(jobs_path)
  7. jobs = create_job_instances(job_dirs_l)
  8. if __name__ == '__main__':
  9. main()