ctest dfa and homology

[unres.git] / ctest / dfa / dfa_clust.inp

diff --git a/ctest/dfa/dfa_clust.inp b/ctest/dfa/dfa_clust.inp
new file mode 100644 (file)
index 0000000..4658036
--- /dev/null
+++ b/ctest/dfa/dfa_clust.inp
@@ -0,0 +1,21 @@
+clustering
+nres=77  n_ene=18 ncut=1                pdbref rescale=2 PRINT_CART PDBOUT=1   &
+iopt=1 temper=260 one_letter CONSTR_HOMOL=8
+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                                        &
+WDFAD=1.5 WDFAT=0.75 WDFAN=1.4 WDFAB=1.0                                       &
+CUTOFF=7.00000 WCORR4=0.00000
+XRGPSNGQSVLENSVQVKETSPRRVSVDPQTGEFVVFDRTLGDVYHGHVRAWKDLTSDMQNALVRGGYVDRKGNPKX
+0
+HOMOL_DIST=0.50 HOMOL_ANGLE=1.0 HOMOL_THETA=1.0 HOMOL_SCD=1.0 DIST_CUT=15.0    &
+READ2SIGMA HOMOL_NSET=1
+../model01.pdb
+../model02.pdb
+../model03.pdb
+../model04.pdb
+../model05.pdb
+../model06.pdb
+../model07.pdb
+../model08.pdb