hi dear usesr.thank you for helping. i supposed to simulate in lammps,water flow with 1058 water molecules in nanochannell at 300K .(piseuille flow)
excuse do you know how can i apply a force to center of mass of every eater molecule in lammps ? i saw com/molecule command , but it only compute the Center Of Mass .
with which command i can apply force to mess center of water molecules?thank you very much.
hi dear usesr.thank you for helping. i supposed to simulate in lammps,water
flow with 1058 water molecules in nanochannell at 300K .(piseuille flow)
excuse do you know how can i apply a force to center of mass of every eater
molecule in lammps ? i saw com/molecule command , but it only compute the
Center Of Mass .
should be straightforward:
create an atom style variable that takes the force you want to add,
divides it by the total mass of a water molecule (18.0) and multiplies
it by the individual mass of the respective atom. then use fix
addforce with this variable.
axel.
There isn’t one. I think you’d have to write
a new fix to do that. However, for water,
it is probably just fine to add force to the O
atom in each molecule.
Steve