1 T0580 small REMD simulation
2 SEED=-3059743 RE rescale_mode=2 one_letter PDBSTART timlim=2800.0 &
3 CONSTR_HOMOL=8 PDBREF REFSTR
4 nstep=10000 dt=0.10 ntwe=100 ntwx=100 lang=0 tbf tau_bath=1 t_bath=300 &
5 damax=20.0 EDRIFTMAX=20.0 reset_moment=100 reset_vel=100 PRINT_COMPON &
8 nrep=8 nstex=100 tlist mlist traj1file rest1file sync nsyn=100
9 240 260 280 300 320 340 360 390
11 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954 &
12 WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000 &
13 WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000 &
14 WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25 &
15 WDFAD=1.5 WDFAT=0.75 WDFAN=1.4 WDFAB=1.0 &
16 CUTOFF=7.00000 WCORR4=0.00000
20 HOMOL_DIST=0.50 HOMOL_ANGLE=1.0 HOMOL_THETA=1.0 HOMOL_SCD=1.0 DIST_CUT=15.0 &
21 READ2SIGMA START_FROM_MODELS