pub_soft/foldingdiff
3
0
Fork 0
mirror of https://github.com/microsoft/foldingdiff.git synced 2026-06-04 13:30:33 +08:00
Code Issues Packages Projects Releases Wiki Activity

Fix inverted filenames

Browse Source
This commit is contained in:
Kevin Wu
2023-03-30 12:03:50 -07:00
parent 6dbb3117f6
commit c5a557e8fa
1 changed files with 3 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
scripts/gromacs/gromacs_docker.py
View File

@@ -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