X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FMD%2Fff_gab%2F1L2Y_minim.inp;h=2830886cbdece56094047acf1759364bc693c39c;hb=bc8826038ee36f9d7f1d6dd89c90601b2562c0af;hp=286b667acf8e1ec73260d4da692076bf51158eda;hpb=24bbf0f3f06452c69bf4b69b4a9ba620e0260d7b;p=unres.git diff --git a/examples/unres/MD/ff_gab/1L2Y_minim.inp b/examples/unres/MD/ff_gab/1L2Y_minim.inp index 286b667..2830886 100644 --- a/examples/unres/MD/ff_gab/1L2Y_minim.inp +++ b/examples/unres/MD/ff_gab/1L2Y_minim.inp @@ -1,6 +1,6 @@ 1L2Y -SEED=-3059743 PDBREF MINIMIZE -maxmin=1000 +SEED=-3059743 REFSTR PDBREF MINIMIZE + WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873 & WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000 & WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000 &