X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2FCSA%2Freminimize%2Frun;fp=examples%2Funres%2FCSA%2FGAB%2FCSA%2Freminimize%2Frun;h=21247ffe97cdc9b843977484a4f86253546fe432;hb=c5370e6422f68c03f5801e5e8b127a5ba478695b;hp=0000000000000000000000000000000000000000;hpb=866c6bb3445c32af6d43b6eea1c565ae7d78e7f2;p=unres.git

diff --git a/examples/unres/CSA/GAB/CSA/reminimize/run b/examples/unres/CSA/GAB/CSA/reminimize/run
new file mode 100755
index 0000000..21247ff
--- /dev/null
+++ b/examples/unres/CSA/GAB/CSA/reminimize/run
@@ -0,0 +1,11 @@
+#PBS -N unres_csa_dfa
+#PBS -q special
+#PBS -l nodes=2:ppn=4
+
+set NPROCS=`cat $PBS_NODEFILE | wc -l`
+
+cd $PBS_O_WORKDIR             
+
+/users/local/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun -machinefile $PBS_NODEFILE -np $NPROCS \
+-p4wd $PBS_O_WORKDIR $PBS_O_WORKDIR/unres_4P.csh 
+