Description: Find SAFT-gamma Mie force field parameters. Download models for running with HOOMD or GROMACS. Easily set up coarse grained molecular dynamics.
molecular dynamics (33) saft-gamma mie (1) hoomd (1) raasaft (1) force field parameters (1)
The SAFT-γ Mie force field is a powerful approach to coarse-grained molecular dynamics: the parameters for the model of a substance are computed from its thermophysical properties, removing the need for tuning models to atomistic simulations. The theory also provides a corresponding equation of state. Here we make the power accessible to anyone.
"The bottle" is our collection of 6000+ molecules for which we have already computed the force field parameters. You can search by CAS number, name, or chemical formula.
Search the bottle