From cefdcf7e21e60e5b3c32b76afa7fdb9f05df5f18 Mon Sep 17 00:00:00 2001 From: sebastiankloth Date: Wed, 27 Apr 2022 15:38:49 +0200 Subject: [PATCH] Removed backups from energy reader --- mdevaluate/reader.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/mdevaluate/reader.py b/mdevaluate/reader.py index f2405df..d386d9c 100755 --- a/mdevaluate/reader.py +++ b/mdevaluate/reader.py @@ -197,7 +197,9 @@ def energy_reader(file, energies=None): directory = file.rsplit("/", 1)[0] ps = subprocess.Popen(("echo", *energies), stdout=subprocess.PIPE) 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: print("No GROMACS found!") ps.wait()