X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=ctest%2Fdfa%2Fdfa_clust.inp;h=c5d3f91d224ebb3188f4cb7b651e9e2cb9b3cac2;hb=058b4e72d61c149f66570d580bda9b47464d9df6;hp=4658036a1c657c2afa9f2b78b6dc65e994c2366d;hpb=026c29025242b86796bce0e3ae3018c657432015;p=unres.git diff --git a/ctest/dfa/dfa_clust.inp b/ctest/dfa/dfa_clust.inp index 4658036..c5d3f91 100644 --- a/ctest/dfa/dfa_clust.inp +++ b/ctest/dfa/dfa_clust.inp @@ -1,6 +1,6 @@ clustering nres=77 n_ene=18 ncut=1 pdbref rescale=2 PRINT_CART PDBOUT=1 & -iopt=1 temper=260 one_letter CONSTR_HOMOL=8 +iopt=1 temper=280 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 & @@ -11,11 +11,11 @@ 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 +model01.pdb +model02.pdb +model03.pdb +model04.pdb +model05.pdb +model06.pdb +model07.pdb +model08.pdb