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[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