Merge pull request #24 from Nithishwer/bug_fix

Added output flag to example
bigginlab · May 6, 2024 · 3f2a35f · 3f2a35f
2 parents e58b463 + 1174fa3
commit 3f2a35f
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/examples/example_execution.sh b/examples/example_execution.sh
@@ -5,4 +5,4 @@ conda activate abfe
 
 cli-abfe -p ./data/CyclophilinD_min/receptor.pdb \
          -l ./data/CyclophilinD_min/ligands \
-         -nr 3 -njr 8 -njl 40
+         -nr 3 -njr 8 -njl 40 -o output