X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fdfa%2Fdfa_clust.inp;h=00808e5370215cd2620d99457e1e4a50d0845e51;hb=7e7bf7f72d6dc07c6674b6212913d5ee96d0af10;hp=09206dfb12359be0031864afb2a5a6e2ae01b0a4;hpb=1a1a181a0323beb5e0391ce1db170c2fd9e2c0fd;p=unres.git diff --git a/ctest/dfa/dfa_clust.inp b/ctest/dfa/dfa_clust.inp index 09206df..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=0 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 &