From c5a557e8fac7f235db21155345cdb1c898e48ba5 Mon Sep 17 00:00:00 2001 From: Kevin Wu Date: Thu, 30 Mar 2023 12:03:50 -0700 Subject: [PATCH] Fix inverted filenames --- scripts/gromacs/gromacs_docker.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/scripts/gromacs/gromacs_docker.py b/scripts/gromacs/gromacs_docker.py index 7c770bc..decb134 100644 --- a/scripts/gromacs/gromacs_docker.py +++ b/scripts/gromacs/gromacs_docker.py @@ -53,7 +53,9 @@ def run_gromacs_in_docker(fname: str, out_dir: str, gpu: int = 0): else ".".join([bname, src_fname]) ) logging.info(f"Copying {src_fname} to {dest_fname} in {out_dir}") - shutil.copy(os.path.join(tmpdir, fname), os.path.join(out_dir, dest_fname)) + shutil.copy( + os.path.join(tmpdir, src_fname), os.path.join(out_dir, dest_fname) + ) os.chdir(orig_dir) # Restore directory