X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FMD%2Fff_gab%2F1L2Y_minim.inp;fp=examples%2Funres%2FMD%2Fff_gab%2F1L2Y_minim.inp;h=2830886cbdece56094047acf1759364bc693c39c;hb=aa9c2c2c467251bf1d41c70030a19178683c19f5;hp=286b667acf8e1ec73260d4da692076bf51158eda;hpb=f211e39863141d65a2101b6be85b62cdcb12bb67;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 &