tau_bath=1.0 t_bath=300 reset_vel=10000 respa ntime_split=1 maxtime_split=64
nrep=16 nstex=100000 tlist mlist traj1file rest1file sync nsyn=100000
250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400
- 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
+ 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
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 &