; NVT production (analysis-quality)
integrator              = md
dt                      = 0.002
nsteps                  = 5000000     ; set time (e.g., 10 ns)

constraints             = h-bonds
constraint-algorithm    = lincs
lincs_iter              = 1
lincs_order             = 4

cutoff-scheme           = Verlet
nstlist                 = 20
ns_type                 = grid
rlist                   = 1.2
rcoulomb                = 1.2
rvdw                    = 1.2
DispCorr                = EnerPres

coulombtype             = PME
pme_order               = 4
fourierspacing          = 0.12

; Proper production thermostat
tcoupl                  = Nose-Hoover
tc-grps                 = System
tau_t                   = 1.0
ref_t                   = 298

pcoupl                  = no

; Continue from relax stage
continuation            = yes

nstcomm                 = 100
comm-mode               = linear
comm-grps               = System

; Output: good for H-bond lifetimes + MSM
nstenergy               = 2500         ; 2 ps
nstlog                  = 2500
nstxout                 = 0
nstvout                 = 0
nstfout                 = 0
nstxout-compressed      = 500         ; 5 ps (set to 500 for 1 ps if you can)
compressed-x-precision  = 500

pbc                     = xyz

; ---------- Electric field placeholders ----------
; E_z = 0.5
; (oscillating field syntax depends on GROMACS version)