X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=files%2Fpbs8.csh;h=558822e2c54cf73990a573598fae9d93b5d14283;hb=db52271014238aeb1e7124dea2625af9f1917721;hp=b672bb16bb5696394bac8004354571a984425772;hpb=591ac48194b207c02ffd7cda59c1c9709a114498;p=django_unres.git

diff --git a/files/pbs8.csh b/files/pbs8.csh
index b672bb1..558822e 100755
--- a/files/pbs8.csh
+++ b/files/pbs8.csh
@@ -1,4 +1,4 @@
-#PBS -N test
+#PBS -N test_server
 #PBS -q nowy
 #PBS -l nodes=4:ppn=4
 
@@ -45,9 +45,16 @@ $MPIRUN -machinefile $PBS_NODEFILE -np 2 $WHAM_BIN
 
 #test images
 setenv line `awk '{}END{print int(NR*0.2)}' file_GB000.stat`
-tail -q -n +$line file_GB*.stat >remd_all.stat
+
+if ( `grep -c pdbref file.inp` ) then
+ tail -q -n +$line file_GB*.stat |  awk '{if ( NF == 14 ) print}' >remd_all.stat
+ cat file_GB*.stat |  awk '{if ( NF == 14 ) print}' > remd_all0.stat
+else
+ tail -q -n +$line file_GB*.stat |  awk '{if ( NF == 10 ) print}' >remd_all.stat
+ cat file_GB*.stat |awk '{if ( NF == 10 ) print}' > remd_all0.stat
+endif
 ../files/matplotlib_hist.py $temperatures
-rm remd_all.stat
+rm remd_all.stat remd_all0.stat
 
 #CLUSTER WHAM
 setenv INPUT file_cluster