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Removed backups from energy reader

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This commit is contained in:
sebastiankloth 2022-04-27 15:38:49 +02:00
parent 82c9b9ee36
commit cefdcf7e21
1 changed files with 3 additions and 1 deletions
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mdevaluate/reader.py
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@ -197,7 +197,9 @@ def energy_reader(file, energies=None):
directory = file.rsplit("/", 1)[0] directory = file.rsplit("/", 1)[0]
ps = subprocess.Popen(("echo", *energies), stdout=subprocess.PIPE) ps = subprocess.Popen(("echo", *energies), stdout=subprocess.PIPE)
try: try:
subprocess.run(("gmx", "energy", "-f", file, "-o", f"{directory}/tmp.xvg", "-quiet"), stdin=ps.stdout) subprocess.run(("gmx", "energy", "-f", file, "-o",
f"{directory}/tmp.xvg", "-quiet", "-nobackup"),
stdin=ps.stdout)
except FileNotFoundError: except FileNotFoundError:
print("No GROMACS found!") print("No GROMACS found!")
ps.wait() ps.wait()