ctest rm n_ene
[unres.git] / ctest / dfa / dfa_clust.inp
1 clustering
2 nres=77           ncut=0                pdbref rescale=2 PRINT_CART PDBOUT=1   &
3 iopt=1 temper=280 one_letter CONSTR_HOMOL=8
4 WSC=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954              &
5 WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &
6 WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000    &
7 WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25                                        &
8 WDFAD=1.5 WDFAT=0.75 WDFAN=1.4 WDFAB=1.0                                       &
9 CUTOFF=7.00000 WCORR4=0.00000
10 XRGPSNGQSVLENSVQVKETSPRRVSVDPQTGEFVVFDRTLGDVYHGHVRAWKDLTSDMQNALVRGGYVDRKGNPKX
11 0
12 HOMOL_DIST=0.50 HOMOL_ANGLE=1.0 HOMOL_THETA=1.0 HOMOL_SCD=1.0 DIST_CUT=15.0    &
13 READ2SIGMA HOMOL_NSET=1
14 model01.pdb
15 model02.pdb
16 model03.pdb
17 model04.pdb
18 model05.pdb
19 model06.pdb
20 model07.pdb
21 model08.pdb
22 model01.pdb