X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FREMD%2Fwith_constrains%2FBerendsen%2Fff_1l2y%2Fstart.mat;fp=examples%2Funres%2Fnew%2FREMD%2Fwith_constrains%2FBerendsen%2Fff_1l2y%2Fstart.mat;h=1f18def47036abaaed421afb4a806a5b5bbf5c51;hb=5a8c1962b1eafdefe5001ce9207372e68d31960a;hp=0000000000000000000000000000000000000000;hpb=ee9b6d7c3bd62a81233e4589fa26a3641622262f;p=unres.git

diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/start.mat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/start.mat
new file mode 100755
index 0000000..1f18def
--- /dev/null
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/start.mat
@@ -0,0 +1,12 @@
+#PBS -N ber-1l2y
+#PBS -q dque
+#PBS -l nodes=2:ppn=8
+# #PBS -l mem=4gb
+#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
+