Merge branch 'prerelease-3.2.1'

[unres.git] / ctest / 1L2Y_clust.inp

diff --git a/ctest/1L2Y_clust.inp b/ctest/1L2Y_clust.inp
new file mode 100644 (file)
index 0000000..a08fcb8
--- /dev/null
+++ b/ctest/1L2Y_clust.inp
@@ -0,0 +1,11 @@
+1L2Y clustering
+nres=22 n_ene=18 ncut=1 cutoff=-58.0   pdbref rescale=2 PRINT_CART PDBOUT=1    &
+iopt=1 temper=280 one_letter
+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
+XNLYIQWLKDGGPSSGRPPPSX
+ 0
+1L2Y.pdb