2 SEED=-1111333 MD ONE_LETTER pdbstart UNRES_PDB
3 nstep=500 dt=0.1 ntwe=1 ntwx=300 lang=0 tbf tau_bath=1.0 t_bath=300 &
4 reset_moment=1000 reset_vel=0 damax=5.0 eq_time=1000 MDPDB PRINT_COMPON rest &
6 WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873 &
7 WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000 &
8 WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000 &
9 WVDWPP=0.11371 WHPB=1.00000 &
10 CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0 dyn_ss