SPICA: Surface Property fItting Coarse grAined model

Tutorialwith MD software


Several different MD softwares are useful for MD simulations using the SPICA force field:

LAMMPS is the first choice for the SPICA force field. GROMACS might show a better performance, though a patch file is required to make it useful. MPDyn2 was originally used to build the previous SDK force field, even though a good performance on parallel computers is not expected. MPDyn2 could be useful for analyses.
In this tutorial, we focus on LAMMPS and explain how to prepare input files for different systems.


We will use a command-line tool, cg_spica, to generate some input files required to run coarse-grained MD using SPICA.
The tool's repository is open on GitHub and found at here. README in the repository mentions required enviroments and installation to use the tool.
Please make sure that you can excute the command-line tool on a console before starting this tutorial.


Lipid membrane


SPICA Force Field

Okayama University