Dear LAMMPS Users,
I am trying to simulate a simple water box using DPD. Is it possible to barostat the system with water beads such that the correct density of water at 1 bar and 300K is achieved? Which barostat would work with DPD in LAMMPS?
Thank you very much for your kind assistance.
Best Regards,
Jingjie
Dear LAMMPS Users,
I am trying to simulate a simple water box using DPD. Is it possible to
barostat the system with water beads such that the correct density of water
at 1 bar and 300K is achieved? Which barostat would work with DPD in LAMMPS?
any.
whether you get the right density at 1 bar and 300K is a property of your
water model, not of the barostat. the barostat will simply follow the
computed pressure and adjust the volume of the cell until it matches on
average the target pressure.
axel.