2wfu UNRES-Dock test
SEED=-77763650 pdbstart re one_letter BOXX=78.90 &
BOXY=78.90 BOXZ=78.90 CONSTR_HOMOL=8 pdbref
- reset_vel=1000 nstep=200000 ntwe=1000 ntwx=1000 dt=0.2 lang=1 &
+ reset_vel=1000 nstep=100000 ntwe=1000 ntwx=1000 dt=0.2 lang=1 &
scal_fric=0.02 preminim cart
print_min_ini print_min_res print_min_stat maxfun=15000
nrep=8 nstex=1000 tlist mlist sync nsyn=1000 traj1file rest1file &