diff --git a/docs.it4i/software/chemistry/orca.md b/docs.it4i/software/chemistry/orca.md index b1bee7fdcf1568d64cb1a42f8ee11e0e7e39d751..a811e06871cb808293b9db6740b19f812c653618 100644 --- a/docs.it4i/software/chemistry/orca.md +++ b/docs.it4i/software/chemistry/orca.md @@ -111,7 +111,7 @@ You also need to edit the previously used PBS submission file. You have to speci #PBS -q qexp ml ORCA/4.0.1.2 -${EBROOTORCA}/orca orca_parallel.inp +${EBROOTORCA}/orca orca_parallel.inp > output.out ``` !!! note