Fix path to ORCA

docs.it4i/software/chemistry/orca.md

@@ -37,9 +37,10 @@ Next, create a PBS submission file (interactive job can be used too).
 #PBS -N ORCA_SERIAL
 #PBS -l select=1
 #PBS -q qexp
+#PBS -A OPEN-0-0
 
 ml ORCA/4.0.1.2
-${EBROOTORCA}orca orca_serial.inp
+orca orca_serial.inp
 ```
 
 Submit the job to the queue and wait before it ends. Then you can find an output log in your working directory.
@@ -109,9 +110,10 @@ You also need to edit the previously used PBS submission file. You have to speci
 #PBS -N ORCA_PARALLEL
 #PBS -l select=4:ncpus=16:mpiprocs=16
 #PBS -q qexp
+#PBS -A OPEN-0-0
 
 ml ORCA/4.0.1.2
-${EBROOTORCA}/orca orca_parallel.inp > output.out
+orca orca_parallel.inp > output.out
 ```
 
 !!! note