integrator = cg
nsteps = 1000000
constraints=none
emtol = 0.1
emstep = 0.01
nstlist = 5
nstxout = 500
nstvout = 500
nstlog = 500
nstenergy = 20 
nstxtcout = 20
ns_type = grid
pbc = xyz
rlist = 0.9
coulombtype = PME
fourierspacing = 0.12
pme_order=4
ewald_rtol=1e-5
rcoulomb = 0.9
vdwtype = cut-off
rvdw = 0.9