UNRES-Dock example output

[unres.git] / examples / UNRES-Dock / output / cluster.inp

diff --git a/examples/UNRES-Dock/output/cluster.inp b/examples/UNRES-Dock/output/cluster.inp
new file mode 100644 (file)
index 0000000..f41fc72
--- /dev/null
+++ b/examples/UNRES-Dock/output/cluster.inp
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+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