X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2FUNRES-Dock%2Foutput%2Fcluster.inp;fp=examples%2FUNRES-Dock%2Foutput%2Fcluster.inp;h=f41fc7236213861a65ad8c27f12403dd3297b937;hb=018446aca1e32faf80f41e818acbfc61e5d872c9;hp=0000000000000000000000000000000000000000;hpb=88d4f45c783f3644ff7ae49572b7b609ef3c9617;p=unres.git

diff --git a/examples/UNRES-Dock/output/cluster.inp b/examples/UNRES-Dock/output/cluster.inp
new file mode 100644
index 0000000..f41fc72
--- /dev/null
+++ b/examples/UNRES-Dock/output/cluster.inp
@@ -0,0 +1,39 @@
+clustering
+ncut=1 temper=300 iopt=1      rescale=2 PRINT_CART PDBOUT=1                    &
+nclust=10 CONSTR_HOMOL=24 one_letter nres=314
+WSC=0.82686 WSCP=0.96947 WELEC=0.79373 WBOND=1.00000 WANG=0.46542              &
+WSCLOC=0.07969 WTOR=0.81684 WTORD=0.67806 WCORRH=0.00000 WCORR5=0.00000        &
+WCORR6=0.00000 WEL_LOC=0.71100 WTURN3=2.30298 WTURN4=0.86517 WTURN6=0.00000    &
+WSCCOR=0.14577 WVDWPP=0.17781 WHPB=1.00000 WSCP14=0.00000                      &
+CUTOFF=7.00000 WCORR4=0.00000
+XDWTTFRRVFLIDDAWRPLMEPELANPLTAHLLAEYNRRCQTEEVLPPREDVFSWTRYCTPDEVRVVIIGQDPYHHPGQA
+HGLAFSVRANVPPPPSLRNVLAAVKNCYPEARMSGHGCLEKWARDGVLLLNTTLTVKRGAAASHSRIGWDRFVGGVIRRL
+AARRPGLVFMLWGTHAQNAIRPDPRVHCVLKFSHPSPLSKVPFGTCQHFLVANRYLETRSISPIDWSVXXTNLSDIIEKE
+TGKQLVIQESILMLPEEVEEVIGNKPESDILVHTAYDESTDENVMLLTSDAPEYKPWALVIQDSNGENKIKMLX
+0
+HOMOL_DIST=0.10 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
+./model09.pdb
+./model10.pdb
+./model11.pdb
+./model12.pdb
+./model13.pdb
+./model14.pdb
+./model15.pdb
+./model16.pdb
+./model17.pdb
+./model18.pdb
+./model19.pdb
+./model20.pdb
+./model21.pdb
+./model22.pdb
+./model23.pdb
+./model24.pdb