etoh cherry merge correction

[django_unres.git] / files / pbs_md.csh

diff --git a/files/pbs_md.csh b/files/pbs_md.csh
index 19b6780..d5344d9 100755 (executable)
--- a/files/pbs_md.csh
+++ b/files/pbs_md.csh
@@ -1,4 +1,4 @@
-#PBS -N test
+#PBS -N test_server
 #PBS -q express
 #PBS -l nodes=1:ppn=4
 
@@ -33,7 +33,14 @@ setenv OUT1FILE YES
 
 $MPIRUN -machinefile $PBS_NODEFILE -np $NPROCS $UNRES_BIN
 
-../files/matplotlib_fit_hist.py $dimen3
+if ( `grep -c pdbref file.inp` ) then
+ awk '{if ( NF == 14 ) print}' file_GB000.stat > md.stat
+else
+ awk '{if ( NF == 10 ) print}' file_GB000.stat > md.stat
+endif
+
+../../files/matplotlib_fit_hist.py $dimen3
+rm md.stat
 
 if ( -f "file_MD000.pdb" ) then
  mkdir tmp