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
+end
+
/users2/local/pymol_1.6/pymol -c ../files/model.pml
-/big/appl/bin/tmscore MODEL1.pdb plik.pdb > tmscore1.out
-/big/appl/bin/tmscore MODEL2.pdb plik.pdb > tmscore2.out
-/big/appl/bin/tmscore MODEL3.pdb plik.pdb > tmscore3.out
-/big/appl/bin/tmscore MODEL4.pdb plik.pdb > tmscore4.out
-/big/appl/bin/tmscore MODEL5.pdb plik.pdb > tmscore5.out
+/users2/local/bin/tmscore MODEL1.pdb plik.pdb > tmscore1.out
+/users2/local/bin/tmscore MODEL2.pdb plik.pdb > tmscore2.out
+/users2/local/bin/tmscore MODEL3.pdb plik.pdb > tmscore3.out
+/users2/local/bin/tmscore MODEL4.pdb plik.pdb > tmscore4.out
+/users2/local/bin/tmscore MODEL5.pdb plik.pdb > tmscore5.out
#END
touch finished