rgyr correction

[django_unres.git] / files / pbs8.csh

diff --git a/files/pbs8.csh b/files/pbs8.csh
index b672bb1..558822e 100755 (executable)
--- 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