title               =  CD3z embbeded in DMPC bi-layer solvated in water.
cpp                 =  /usr/bin/cpp
define              =  -DFLEX_SPC
 
integrator          =  steep
nsteps              =  50000

; Constrain control
constraints         =  none

; Output frequency for coords (x), velocities (v) and forces (f)
nstxout             =  100
nstvout             =  100
nstfout             =  100


; nblist update frequency
nstlist             =  10 

; ns algorithm 
ns_type             =  grid
rlist               =  1

; Method for doing VdW 
vdw-type            =  Cut-off
rvdw                =  1

; Method for doing electrostatics 
coulombtype	    =  Cut-off
rcoulomb            =  1

; Center of mass control
nstcomm              =  1

; Periodic boundary conditions 
pbc                  =  xyz

; Mode for center of mass motion removal
comm-mode            =  Linear

;       Energy minimizing stuff
emtol                =  500.0
emstep               =  0.1