I’d like to simulate the dynamic procedure: Insert particles in a box during MD simulation.
It seems that “fix deposit command “ has this kind of function. However, this command is useful for simulating the deposition of particles onto a surface.
My simulation do not want the particles deposit on the surface. So do you have other command to realize this function (only Insert particles in a box during MD simulation)?
Thank you
You'd have to write a fix, modeled after fix deposit, to
do this. One problem would be that MD simulations of
liquids or solids leave no space to insert particles, so
how do you plan to do it efficiently?
Steve
I'd like to simulate the dynamic procedure: Insert particles in a box
during MD simulation.
did you do some literature search on MD
simulations in grand canonical ensemble?
if not, i suggest you start there and have
a look at the problems associated with it.
It seems that “fix deposit command “ has this kind of function.
However, this command is useful for simulating the deposition of
particles onto a surface.My simulation do not want the particles deposit on the surface. So do
you have other command to realize this function (only Insert particles
in a box during MD simulation)?
as per usual, it is always difficult to give any form of
good advice, if you don't provide any information _why_
you want to do this. understanding the whole problem
is often more than half of the solution.
thanks,
axel.