[gmx-users] Using GROMACS to do colloid simulations

Rich Hanes georgebastille at hotmail.com
Tue Sep 25 22:13:13 CEST 2007


Hello,

I recently attended a conference where some of my colleagues were talking about GROMACS and how it was really good and fast. They work with proteins, specifically, the mechanical properties of collections of proteins, eg actin filaments. I am working in Soft Matter Physics, with colloids. I generally work with 1 micrometer PMMA spheres. I can get the interaction potential, charge, radius, polydispersity etc etc to load into gromacs, but I want to know if anyone has used gromacs for colloid simulations, or if I should look elsewhere. Things which might make GROMACS unsuitable are, time and length scales, hydrodynamics. WHat do you think?

Thanks for your help with this,

Richie
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