X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fdfa%2Fdfa_clust.inp;h=00808e5370215cd2620d99457e1e4a50d0845e51;hb=7baaf36efbc265e029ec93a4bb1adfadfd55d7bf;hp=c5d3f91d224ebb3188f4cb7b651e9e2cb9b3cac2;hpb=9871d519471d253de8e09bc983cb395dc7a95173;p=unres.git diff --git a/ctest/dfa/dfa_clust.inp b/ctest/dfa/dfa_clust.inp index c5d3f91..00808e5 100644 --- a/ctest/dfa/dfa_clust.inp +++ b/ctest/dfa/dfa_clust.inp @@ -1,5 +1,5 @@ clustering -nres=77 n_ene=18 ncut=1 pdbref rescale=2 PRINT_CART PDBOUT=1 & +nres=77 ncut=0 pdbref rescale=2 PRINT_CART PDBOUT=1 & 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 & @@ -19,3 +19,4 @@ model05.pdb model06.pdb model07.pdb model08.pdb +model01.pdb