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=a770a2187d618f27f93234b648b50523608e3bb1;hb=52187c9365594597457799445140ea830f1141a3;hp=2830886cbdece56094047acf1759364bc693c39c;hpb=951f0fe4ce7a66542c398754524d8ae3d9b5dc5a;p=unres.git diff --git a/examples/unres/MD/ff_gab/1L2Y_minim.inp b/examples/unres/MD/ff_gab/1L2Y_minim.inp index 2830886..a770a21 100644 --- a/examples/unres/MD/ff_gab/1L2Y_minim.inp +++ b/examples/unres/MD/ff_gab/1L2Y_minim.inp @@ -1,6 +1,11 @@ 1L2Y +<<<<<<< HEAD SEED=-3059743 REFSTR PDBREF MINIMIZE +======= +SEED=-3059743 PDBREF ENE +maxmin=1000 +>>>>>>> aebadf9023e437f497f92dfcf2303c16f60917c1 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 &