1 1L2Y with Langevin thermostat in ff_1l2y MD simulation
2 SEED=-3059743 PDBREF MD EXTCONF RESCALE_MODE=2 RESPA
3 nstep=200000 ntwe=10 ntwx=10000 dt=0.20 damax=10.0 lang=1 &
4 t_bath=300 reset_vel=0 respa ntime_split=1 maxtime_split=512
5 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954 &
6 WSCLOC=0.10554 WTOR=1.84316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000 &
7 WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000 &
8 WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.0 &
9 CUTOFF=7.00000 WCORR4=0.00000
12 D ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO