2 SEED=-6086648 RE pdbref refstr ONE_LETTER rescale_mode=2 out1file extconf
3 nstep=200000 ntwe=100 ntwx=1000 lang=0 tbf t_bath=300 tau_bath=1.0 &
4 dt=0.10 reset_moment=1000 reset_vel=1000 damax=4.0 restart
5 nrep=8 nstex=1000 tlist mlist traj1file rest1file sync nsyn=1000
6 240 260 280 300 320 340 360 390
8 WSC=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954 &
9 WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000 &
10 WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000 &
11 WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25 &
12 CUTOFF=7.00000 WCORR4=0.00000
15 XNLYIQWLKDGGPSSGRPPPSX