; Energy minimization 
; RUN CONTROL PARAMETERS =
integrator               = steep 
nsteps                   = 1000
; Output frequency for energies to log file and energy file =
nstlog                   = 1
nstenergy                = 1
; ENERGY MINIMIZATION OPTIONS =
; Force tolerance and initial step-size =
emtol                    = 10
emstep                   = 0.01
; Max number of iterations in relax_shells =
niter                    = 20
; NEIGHBORSEARCHING PARAMETERS =
; nblist update frequency =
nstlist                  = 1
; ns algorithm (simple or grid) =
ns_type                  = grid
; Periodic boundary conditions: xyz or none =
pbc                      = xyz
; nblist cut-off         =
rlist                    = 1.0 
domain-decomposition     = no
; OPTIONS FOR ELECTROSTATICS AND VDW =
; Method for doing electrostatics =
coulombtype              = pme
;rcoulomb-switch          = 0
rcoulomb                 = 1.0 
; Dielectric constant (DC) for cut-off or DC of reaction field =
epsilon-r                = 1
; Method for doing Van der Waals =
vdw-type                 = switch
; cut-off lengths        =
rvdw                     = 0.9
rvdw-switch              = 0.8
; Apply long range dispersion corrections for Energy and Pressure =
DispCorr                  = EnerPres