X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=examples%2Funres%2FMD%2Fff_gab%2Fstart.mat;fp=examples%2Funres%2FMD%2Fff_gab%2Fstart.mat;h=a1008ff5b67c4d2cb7d454f0268239fa9ad66fac;hb=aa9c2c2c467251bf1d41c70030a19178683c19f5;hp=0000000000000000000000000000000000000000;hpb=f211e39863141d65a2101b6be85b62cdcb12bb67;p=unres.git

diff --git a/examples/unres/MD/ff_gab/start.mat b/examples/unres/MD/ff_gab/start.mat
new file mode 100755
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
+