Merge branch 'devel' into feature-ga

[unres.git] / examples / unres / MD / ff_gab / start.mat

diff --git a/examples/unres/MD/ff_gab/start.mat b/examples/unres/MD/ff_gab/start.mat
new file mode 100755 (executable)
index 0000000..a1008ff
--- /dev/null
+++ b/examples/unres/MD/ff_gab/start.mat
@@ -0,0 +1,12 @@
+#PBS -N test
+#PBS -q dque
+#PBS -l nodes=1:ppn=1
+#PBS -l mem=2gb
+#PBS -l walltime=24:00:00
+
+setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun "
+setenv NPROCS `cat $PBS_NODEFILE | wc -l`
+
+cd $PBS_O_WORKDIR
+$MPIRUN -machinefile $PBS_NODEFILE -np $NPROCS ./unres.csh
+