NPT equilibration

Dear users,

I have a system of lipid bilayers parallel to x-y plane in a box of water (70000 atoms in total).

I am running npt equilibration and after 10 ns the volume of my box is still decreasing.

I am using this command:

fix 1 all npt temp 300 300 200.0 aniso 1.0 1.0 500.0

is there any way to make equilibration faster?

Thanks

Neda

Dear users,
I have a system of lipid bilayers parallel to x-y plane in a box of water
(70000 atoms in total).
I am running npt equilibration and after 10 ns the volume of my box is still
decreasing.
I am using this command:

fix 1 all npt temp 300 300 200.0 aniso 1.0 1.0 500.0
is there any way to make equilibration faster?

there is no way to give a specific answer on such a generic question.
there are many possible reasons why you are seeing a volume change
after 10ns starting from a bad choice of starting geometry, bad choice
of system preparation protocol, bad choice of equilibration protocol,
bad choices of simulation parameters outside the NPT fix. it also may
just be, that your specific geometry or system composition requires a
very long equilibration time due to jamming.

overall, this is a topic for discussion with your adviser, since this
is not a question specific to LAMMPS but about how to conduct MD
simulations of your system efficiently.

axel.