;include                  = -I/home/564/rrc564/sim/top/ 
include                  = -I/home/RChen/Documents/doc/gromosff/
define                   = 
integrator               = md
tinit                    = 0
dt                       = 0.004
nsteps                   = 500000
init_step                = 0
comm-mode                = Linear
nstcomm					 = 1
nstxout                  = 500000
nstvout                  = 500000
nstfout                  = 0
nstlog                   = 10000
nstenergy                = 10000
nstxtcout                = 10000
xtc-precision            = 1000
energygrps               = TFE SOL
nstlist                  = 2
ns-type                  = Grid
pbc                      = xyz
rlist                    = 0.8
coulombtype              = Reaction-Field
rcoulomb-switch          = 0
rcoulomb                 = 1.4
epsilon_r                = 1
epsilon-rf               = 62
vdwtype					 = cut-off
rvdw-switch              = 0
rvdw                     = 1.4
tcoupl                   = berendsen
tc-grps                  = System
tau-t                    = 0.1
ref-t                    = 300
Pcoupl                   = berendsen
Pcoupltype               = isotropic
tau-p                    = 1.0 
compressibility          = 4.6e-5
ref-p                    = 1.0
gen-vel                  = yes
gen-temp                 = 300
gen-seed				 = -1
constraints              = all-bonds
constraint-algorithm     = Lincs
unconstrained_start      = no