1 1DKZ 1st domain with substrate
2 SEED=-3059743 MD PDBSTART REFSTR PDBREF DISTCHAINMAX=100 unres_pdb
3 nstep=10000 ntwx=100 ntwe=10 dt=0.01 lang=0 t_bath=300 reset_vel=0
4 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954 &
5 WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000 &
6 WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000 &
7 WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25 &
8 CUTOFF=7.00000 WCORR4=0.00000