title               = MD
cpp                 =  /lib/cpp
constraints         =  h-bonds
integrator          =  md
dt                  =  0.005   ; ps !
nsteps              =  10000000     ; total 1.0 ps.
nstcomm             =  1
nstxout             =  50000
nstvout             =  50000
nstxtcout           =  5000
;xtc-grps            = System
nstfout             =  0
nstlog              =  1000
nstenergy           =  10000
nstlist             =  120
ns_type             =  grid
coulombtype              = pme 
rlist               =  1.0
rcoulomb            =  1.0
rvdw                =  1.0
; Berendsen temperature coupling is on in two groups
Tcoupl              =  v-rescale 
tau_t               =  0.1   0.1  
tc-grps             =  DPPC    SOL
ref_t               =  320   320  
; Pressure coupling is not on
Pcoupl                   = Berendsen
Pcoupltype               = semiisotropic
nstpcouple               = -1
; Time constant (ps), compressibility (1/bar) and reference P (bar)
tau_p                    = 5
compressibility          = 4.5e-5  4.5e-5 4.5e-5 0.0 0.0     0.0
ref_p                    = 1.0     1.0    1.0    1.0 1.0    1.0
; Generate velocites is on at 300 K.
gen_vel             =  yes
gen_temp            =  300.0
gen_seed            =  173529