integrator               = md
ld-seed                  = -1
bd-fric                  = 0
dt                       = 0.0005
nsteps                   = 1000000
nstcomm                  = 100

nstxout                  = 100  ; != nstdhdl (in case of -rerun)
nstvout                  = 0
nstfout                  = 0
nstlog                   = 0
nstenergy                = 100
nstxout-compressed       = 0

tcoupl                   = nose-hoover
nsttcouple               = 10
tc_grps                  = System
tau_t                    = 0.5
ref_t                    = 298.0

constraints              = none
constraint_algorithm     = Lincs
lincs_order              = 4
lincs_warnangle          = 30

comm-mode                = Linear

cutoff-scheme            = Verlet
nstlist                  = 10
ns_type                  = grid
pbc                      = xyz
rlist                    = 0.8

coulombtype              = cutoff
coulomb-modifier         = none
rcoulomb                 = 0.8
fourierspacing           = 0.1
pme_order                = 4
ewald_rtol               = 1.0E-5

vdwtype                  = cut-off
vdw-modifier             = none
rvdw                     = 0.8
DispCorr                 = AllEnerPres

pcoupl                   = no

gen-vel                  = yes

