title               =  d_helix     ; it is title!
cpp                 =  /lib/cpp    ; my preprocessor
define              =  -DFLEX_SPC  ;
constraints         =  none        ; no constraints
integrator          =  steep       ; steepest descent algoritm for energy minimization
dt                  =  0.001       ; ps ! ;time step for integration
nstxout             =  500
nstenergy           =  500
nsteps              =  1000000        ; maximum number of steps to integrate

;      Neighbor searchering
nstlist             =  1          ; frequency to update the neighbor list
ns_type             =  grid        ;
rlist               =  0.35        ; cut-off distanse for the short-range neighbor list
rcoulomb            =  0.35        ; distanse for the Coulomb cut-off
rvdw                =  0.35        ; distanse for the LJ or Bcukingham cut-off
;
;       Energy minimizing stuff
;
emtol               =  1     ; minimization is converget when the max. force is
                                   ; smaller then this value
emstep              =  0.02        ; initial step size