Homec4science
Diffusion lammps (efficient_neuronet) Browse

lammps/examples/USER/cg-cmm
576c6315c7f1efficient_neuronet

Compare
History

cg-cmm

README
peg-verlet/
sds-monolayer/

README

LAMMPS USER-CMM-CG example problems

Each of these sub-directories contains a sample problem for the SDK coarse grained MD potentials that you can run with LAMMPS.

These are the two sample systems

peg-verlet: coarse grained PEG surfactant/water mixture lamella

		verlet version
		this example uses the plain LJ term only, no charges.
		two variants are provided regular harmonic angles and
		the SDK variant that includes 1-3 LJ repulsion.

sds-monolayer: coarse grained SDS surfactant monolayers at water/vapor

		interface.
		this example uses the SDK LJ term with coulomb and shows
		how to use the combined coulomb style vs. hybrid/overlay
		with possible optimizations due to the small number of
		charged particles in this system
c4science · Help