title               = MD
cpp                 =  /lib/cpp
constraints         =  all-bonds
integrator          =  md
dt                  =  0.0002   ; ps !
nsteps              =  1000     ; total 1.0 ps.
nstcomm             =  1
nstxout             =  500
nstvout             =  1000
nstxtcout           =  500
;xtc-grps            = System
nstfout             =  0
nstlog              =  1000
nstenergy           =  10000
nstlist             =  10
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   ;  0.1   0.1
tc-grps             =  DPPC    SOL ; Na Cl
ref_t               =  300   300  ;300 300 
; Pressure coupling is not on
Pcoupl              =  no ;Berendsen  
Pcoupltype          =  anisotropic
tau_p               =  5
compressibility     =  4.5e-5  4.5e-5 4.5e-5 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