[gmx-users] high temperature

[mah maz]

Dear all,

I have a CNT system. I have set the mdp file as follows, but the
temperature output is logically more than what I expected even in the
production step(around 500k). I have changed the mdp file several times but
it doesn't work. What are the possible causes of problem?
Thank you!
dt                  =  0.0001
tinit               =  0
nsteps              =  2000000
nstxout             =  1000
nstvout             =  1000
nstfout             =  0
nstlog              =  1000
nstenergy           =  1000
nstlist             =  5
ns_type             =  grid
rlist               =  0.9
coulombtype         =  cut-off
rcoulomb            = 0.9
rvdw                =  0.9
rvdw_switch         =  0.5
vdwtype             =  switch
pbc                 = no
integrator          = md-vv
Tcoupl              =  nose-hoover
tau_t               =  0.1
ref_t               =  300
tc_grps             = CNT
gen_temp            = 300
pcoupl               = no