bryan/auto_namd_python
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Cleanup and add license/readme

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cryobry
2019-07-07 14:15:21 -04:00
parent 60ef1111c6
commit 7c4d34f9bf
7 changed files with 740 additions and 50 deletions
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6
run.py
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@@ -3,9 +3,9 @@
import glob
import os
from job import get_next_job, get_jobs_from_path, create_job_instances
from simulate import Simulate
from functions import abs_path, parser
from auto_namd_python.job import get_next_job, get_jobs_from_path, create_job_instances
from auto_namd_python.simulate import Simulate
from auto_namd_python.functions import abs_path, parser
def main(jobs_path, ffs_path, steps, namdbin, params):