lammps/examples/USER/cg-cmm775e8f3cc8f5lammm-master
lammps/examples/USER/cg-cmm
775e8f3cc8f5lammm-master
README
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
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