diff --git a/tools/qcxms/qcxms_neutral_run.xml b/tools/qcxms/qcxms_neutral_run.xml index 9d4115a0..19f81ef4 100644 --- a/tools/qcxms/qcxms_neutral_run.xml +++ b/tools/qcxms/qcxms_neutral_run.xml @@ -19,7 +19,7 @@ > '$log' && qcxms -i molecule.xyz >> '$log' &&