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filter stat files before plot
[django_unres.git]
/
files
/
pbs_md.csh
diff --git
a/files/pbs_md.csh
b/files/pbs_md.csh
index
00e3840
..
d5344d9
100755
(executable)
--- a/
files/pbs_md.csh
+++ b/
files/pbs_md.csh
@@
-33,7
+33,14
@@
setenv OUT1FILE YES
$MPIRUN -machinefile $PBS_NODEFILE -np $NPROCS $UNRES_BIN
$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
if ( -f "file_MD000.pdb" ) then
mkdir tmp