The purpose of this example is to demonstrate how to combine different molecules using radically different pair pair styles together in the same simulation (using moltemplate).
https://www.youtube.com/watch?v=IIIHg2p7QN4
This is a relatively complex example containing two different types of coarse-grained molecules (water and cyclododecane) which phase-separate during the simulation. (Note:These are united-atom models which do not have explicit hydrogen atoms.)
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This simulation uses the 3-body (non-pairwise-additive, directional) coarse-grained "mW" water model: Molinero, V. and Moore, E.B., J. Phys. Chem. B 2009, 113, 4008-4016 Simulations using the "mW" water model can be several orders of magnitude faster than simulations using simple all-atom models such as SPCE or TIP3P.
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A traditional united-atom TraPPE force field (which is pairwise-additive) was used for the cyclododecane molecules.
Any force-field available in LAMMPS can be used with moltemplate. New force-field styles are added by end users regularly. For a current list, see: https://docs.lammps.org/Commands_pair.html
More detailed instructions on how to build LAMMPS input files and run a short simulation are provided in other README files.
This file explains how to use moltemplate.sh to build the files that LAMMPS needs.
This file explains how to use LAMMPS to run a simulation using the files you created in step 1.
This example requires that LAMMPS was built with the "MANYBODY" package. If lammps complains of a missing pair style, you will have to recompile LAMMPS with the "MANYBODY" package enabled. For details see: https://lammps.sandia.gov/doc/Build_package.html