refine with ssbond

[django_unres.git] / files / pbs8.csh

diff --git a/files/pbs8.csh b/files/pbs8.csh
index d7ec507..89db54b 100755 (executable)
--- a/files/pbs8.csh
+++ b/files/pbs8.csh
@@ -70,6 +70,12 @@ $MPIRUN -machinefile $PBS_NODEFILE -np 2 $CLUSTER_WHAM_BIN
 ln -s file_wham_T*K_ave.pdb ave
 ../files/cluster2allatom.sh ave
 rm ave
+
+#amber min refinement
+foreach i (`seq 1 5`)
+../files/refine.sh MODEL$i.pdb $ssbond
+end
+
 /users2/local/pymol_1.6/pymol -c ../files/model.pml
 
 /users2/local/bin/tmscore MODEL1.pdb plik.pdb > tmscore1.out