UNRES-Dock ctest

[unres.git] / ctest / dock / cluster.inp

diff --git a/ctest/dock/cluster.inp b/ctest/dock/cluster.inp
new file mode 100644 (file)
index 0000000..4434d1e
--- /dev/null
+++ b/ctest/dock/cluster.inp
@@ -0,0 +1,21 @@
+2wfu UNRES-Dock 
+nres=49 one_letter rescale=2 PRINT_CART PDBOUT=1 iopt=1 temper=280.0           &
+ CONSTR_HOMOL=8                                                                &
+BOXX=78.90 BOXY=78.90 BOXZ=78.90
+WSC=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954              &
+WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &
+WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000    &
+WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25                                        &
+CUTOFF=7.00000 WCORR4=0.00000
+GVVDSCCRNSCSFSTLRAYCDSXXNSLRACGPALMDMLRVACPNGFNSX
+0
+HOMOL_DIST=0.1    HOMOL_ANGLE=1.0 HOMOL_THETA=1.0 HOMOL_SCD=1.0 DIST_CUT=15.0  &
+READ2SIGMA 
+model01.pdb
+model02.pdb
+model03.pdb
+model04.pdb
+model05.pdb
+model06.pdb
+model07.pdb
+model08.pdb