Thanks Steve and Axel. So in sum there are 3 ways of doing this
a) use dpd pair style. and use fix nve for time integration. Here F_c, F_d and F_r forces of dpd, thermostats the system with dpd potential and the time integration is simple velocity verlet.
b) use dpd/tstat and use fix nve. here dpd thermostats the system, and fix nve integrates the system with whatever potential i give in using pair style table.
c) use dpd pair style with zero gamma and use fix nvt for thermostat and time integration.
I have tried a and c. Will try b since that seems to be the typical way.
Regards
Vaidyanathan M S
a few comments.
Thanks Steve and Axel. So in sum there are 3 ways of doing this
a) use dpd pair style. and use fix nve for time integration. Here F_c, F_d
and F_r forces of dpd, thermostats the system with dpd potential and the
time integration is simple velocity verlet.
unless you are using run style respa, time integration is *always* a
velocity verlet.
b) use dpd/tstat and use fix nve. here dpd thermostats the system, and fix
nve integrates the system with whatever potential i give in using pair style
table.
but isn't this the *opposite* of what you were asking about?
c) use dpd pair style with zero gamma and use fix nvt for thermostat and
time integration.
I have tried a and c. Will try b since that seems to be the typical way.
i disagree. the *typical* way to do DPD simulations is case a). case
b) is for people that want to use only the DPD-style thermostatting
(as opposed to, say, a langevin thermostat).
axel
Okay. I think I got confused. Thanks Axel
Regards
Vaidyanathan M S