X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=files%2Fpbs_md.csh;h=d5344d920fe7821edc3fe8742b1a7a4727946b71;hb=e07c89130d12b4fddfe8cbff93ea91a1c2128c10;hp=19b6780da50ee7895fb73ba5754cef399df7e86b;hpb=591ac48194b207c02ffd7cda59c1c9709a114498;p=django_unres.git

diff --git a/files/pbs_md.csh b/files/pbs_md.csh
index 19b6780..d5344d9 100755
--- 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