X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=files%2Fpbs_md.csh;h=d5344d920fe7821edc3fe8742b1a7a4727946b71;hb=d6b0e3933220853356ce85a93862bcfd706bac24;hp=00e3840ea76d7f386c412dd28524b14976625171;hpb=6776e7c469a38ab58676c9dda3b17d1971d90e0b;p=django_unres.git

diff --git a/files/pbs_md.csh b/files/pbs_md.csh
index 00e3840..d5344d9 100755
--- 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
 
-../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