dock DockQ

[django_unres.git] / files / refine.sh

diff --git a/files/refine.sh b/files/refine.sh
index 65f9274..a997dbc 100755 (executable)
--- a/files/refine.sh
+++ b/files/refine.sh
@@ -50,6 +50,7 @@ $AMBERHOME/bin/sander.MPI \
 $AMBERHOME/bin/ambpdb -p t.top <restrt> stop.pdb
 
 rm $pdb
+cp stop.pdb ${pdb}_
 /users2/local/mmtsb/perl/convpdb.pl -amber -out generic_noh stop.pdb > $pdb
 rm tmp1.pdb z_tleap.pdb t.top t.crd leap.log noh.pdb zakresy.csv RST.dat restrt mdinfo stop.pdb