X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2Fmicrocanonical%2FVTS%2Fff_1l2y%2F1L2Y_micro.inp;fp=examples%2Funres%2Fnew%2Fmicrocanonical%2FVTS%2Fff_1l2y%2F1L2Y_micro.inp;h=0000000000000000000000000000000000000000;hp=ae6f67f5373c888cde0a602bbd7f88b053069490;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro.inp b/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro.inp deleted file mode 100644 index ae6f67f..0000000 --- a/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro.inp +++ /dev/null @@ -1,12 +0,0 @@ -1L2Y microcanonical simulation with VTS algorithm in ff_1l2y -SEED=-3059743 PDBSTART PDBREF MD RESCALE_MODE=2 -nstep=1000000 ntwe=10000 ntwx=10000 dt=0.01 damax=20.0 dvmax=20.0 lang=0 & -t_bath=300 reset_vel=0 -WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954 & -WSCLOC=0.10554 WTOR=1.84316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000 & -WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000 & -WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.0 & -CUTOFF=7.00000 WCORR4=0.00000 -../../../1L2Y.pdb - 0 - 0