Update tools/qcxms/qcxms_neutral_run.xml

Co-authored-by: Björn Grüning <[email protected]>
RECETOX · Oct 21, 2023 · f7b32ed · f7b32ed
1 parent cf0a816
commit f7b32ed
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/tools/qcxms/qcxms_neutral_run.xml b/tools/qcxms/qcxms_neutral_run.xml
@@ -19,7 +19,7 @@
     </requirements>
 
     <command detect_errors="exit_code"><![CDATA[
-        ln $mol molecule.xyz &&
+        ln -s '$mol' molecule.xyz &&
         cat qcxms.in &&
         qcxms -i molecule.xyz >> '$log' &&
         qcxms -i molecule.xyz >> '$log' &&