[lammps-users] hybrid bond and dpd

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1

Dear Lammps Users,

If I use atom_style hybrid bond dpd, then should I use fix nve and fix temp/rescale together?
I know that dpd does the thermostatting. So if dpd is used alone, I should use fix nve only.
But what if I have bond also?
I had tried putting only fix nve, but then the temperature is slightly higher then the desired
temperature (I have fixed it to 1.0 but getting 1.1).

snigdha.

2

You could try fix temp/rescale only on the bonded atoms.
You'll have to expt with using thermostats on various parts
of your system, since its a hybrid model. You can
also use compute temp to look at the T of different components
of the system.

Steve