; TIMESTEP IN MARTINI 
integrator               = md
tinit                    = 0.0
dt                       = 0.02 	; 20 fs timestep
nsteps                   = 250000000    ; 5us     1000000 = 20 ns
nstcomm                  = 1
comm-grps		 = 
nstxout                  = 0
nstvout                  = 0
nstfout                  = 0
nstlog                   = 500
nstenergy                = 500
nstxtcout                = 5000
xtc_precision            = 1000		; generates 5000 frames
xtc-grps                 = 
energygrps               = Protein POPC CHOL PW 
; NEIGHBOURLIST and MARTINI 
nstlist                  = 5 ; lowered from 10 to improve accuracy
ns_type                  = grid
pbc                      = xyz
rlist                    = 1.2
; MARTINI and NONBONDED 
coulombtype              = PME  ; PME can also be used with the polarizable model
fourierspacing           = 0.12 ; for PME
rcoulomb                 = 1.2 
epsilon_r                = 2.5 ; instead of 15
vdw_type                 = Shift 
rvdw_switch              = 0.9
rvdw                     = 1.2
DispCorr                 = No
; MARTINI and TEMPRATURE/PRESSURE
tcoupl			 =  v-rescale 
tc-grps                  =  Protein POPC_CHOL PW 
tau-t                    =  1.0 1.0 1.0
ref-t                    =  300 300 300
Pcoupl                   =  parrinello-rahman 
Pcoupltype               =  semiisotropic
tau-p                    =  12.0 12.0
compressibility          =  3e-4 3e-4
ref-p                    =  1.0 1.0
; MARTINI and VELOCITIES
gen_vel = no
; gen_temp = 300
; gen_seed = -1
; MARTINI and CONSTRAINTS 
refcoord_scaling =  all
constraints              = none 
constraint_algorithm     = Lincs
unconstrained_start      = no
lincs_order              = 4
lincs_warnangle          = 30