X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMD%2FDYN_SS%2Fdyn_ss%2Fsmall.inp;h=03a98e6350ea65a523ef87fbaf04491ebeedcbcb;hb=3fc7e5eaa3b384501e4864c64ade3c92121fa283;hp=5b0269f111c512ef7d5650969d4140d4788f2b15;hpb=fbb1880ba2f52309ca4d0545f1799a181ffcbd81;p=unres.git diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small.inp b/examples/unres/new/MD/DYN_SS/dyn_ss/small.inp index 5b0269f..03a98e6 100644 --- a/examples/unres/new/MD/DYN_SS/dyn_ss/small.inp +++ b/examples/unres/new/MD/DYN_SS/dyn_ss/small.inp @@ -5,7 +5,7 @@ reset_moment=1000 reset_vel=0 damax=5.0 eq_time=1000 MDPDB WSC=1.00000 WSCP=2.79405 WELEC=0.14581 WANG=1.95684 WSCLOC=0.17010 & WTOR=2.04698 WTORD=1.69624 WCORRH=1.84615 WCORR5=0.02730 WCORR6=0.00741 & WEL_LOC=1.21837 WTURN3=2.91386 WTURN4=0.73178 WTURN6=0.02391 WBOND=1.0 & -CUTOFF=7.00000 WCORR4=0.00000 DYN_SS +CUTOFF=7.00000 WCORR4=0.00000 DYN_SS HT=5.0 18 GAAACAAAAAAAACAAAG 2 5 14