Files
auto_namd_python/run_analysis.py

17 lines
379 B
Python

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