New microcanonical examples.

[unres.git] / examples / unres / new / microcanonical / VTS / ff_gab / 1L2Y_micro.inp

diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro.inp b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro.inp
index cea8267..f62cd55 100644 (file)
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro.inp
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro.inp
@@ -1,7 +1,7 @@
 1L2Y microcanonical simulation with VTS algorithm in ff_gab
 SEED=-3059743 PDBREF MD EXTCONF RESCALE_MODE=2
-nstep=1000000 ntwe=10000 ntwx=10000 dt=0.10 damax=10.0 lang=0 tbf              &
-tau_bath=1.0 t_bath=300 reset_vel=10000 respa ntime_split=1 maxtime_split=64
+nstep=1000000 ntwe=10000 ntwx=10000 dt=0.10 damax=10.0 lang=0                  &
+tau_bath=1.0 t_bath=300 reset_vel=0 respa ntime_split=1 maxtime_split=128
 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    &