;1ns Equilibration POPC system no PR
integrator               = md
dt                       = 0.002
;nsteps                   = 500000        
nsteps                   = 500000
constraints 		 = all-bonds
;constraint_algorithm	=	SHAKE
nstlist                  = 10
ns_type                  = grid
rlist                    = 0.9
coulombtype              = PME
rcoulomb                 = 0.9
vdwtype                  = Cut-off
rvdw                     = 1.0
tcoupl                   = Berendsen
tc-grps                  = Protein	Non-protein
tau_t                    = 0.1	0.1
ref_t                    = 310	310
Pcoupl                   = Berendsen
;pcoupltype               = semiisotropic
pcoupltype               = isotropic
tau_p                    = 1.0	1.0
compressibility          = 4.5e-5	4.5e-5
ref_p                    = 1.0	1.0
nstxout                  = 1000
nstvout                  = 1000
nstxtcout                = 100
nstenergy                = 100
define			=	-DPOSRES -DPOSRES_RTL
;define                   = -DPOSRES
;define                   = -DPOSRES_LIPID