; This MDP file is used for calculating the reference value of the static dielelectric constant tests.

integrator               = md
dt                       = 0.002

nstxout                  = 500
nstvout                  = 500
nstlog                   = 500
nstenergy                = 500
nstxtcout                = 500
nstlist                  = 10
ns-type                  = grid

rlist                    = 0.8
nstcalclr = 1

coulombtype              = pme
rcoulomb                 = 0.9
rvdw                     = 0.9
tcoupl                   = v-rescale
tc-grps                  = SOL
tau-t                    = 1.0
ref-t                    = 300 
Pcoupl                   = berendsen
tau-p                    = 1.0
compressibility          = 4.5e-5
ref-p                    = 1.0
gen-vel                  = no
constraints              = all-bonds
