X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FREMD%2FBerendsen%2Fff_gab%2Fstart.mat;fp=examples%2Funres%2FREMD%2FBerendsen%2Fff_gab%2Fstart.mat;h=838fbc8db9e246eab797010ee567c5dd626fb45a;hb=973e30c3fc3444f4e49450c68a510ce149896509;hp=0000000000000000000000000000000000000000;hpb=e1f58c94091d831b301f5c3400202bb180284f72;p=unres.git

diff --git a/examples/unres/REMD/Berendsen/ff_gab/start.mat b/examples/unres/REMD/Berendsen/ff_gab/start.mat
new file mode 100755
index 0000000..838fbc8
--- /dev/null
+++ b/examples/unres/REMD/Berendsen/ff_gab/start.mat
@@ -0,0 +1,12 @@
+#PBS -N Ber-gab
+#PBS -q dque
+#PBS -l nodes=2:ppn=8
+# #PBS -l mem=2gb
+#PBS -l walltime=2:00:00
+
+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
+