I’ll try. 6,000 atoms is an order of magnitude or two more than a typical simulation for me, but I’ll make some approximations and see what i can do. Is there a specific property you’re interested in? Just metastability? The types of approximations that are valid depends strongle on what you want to know about your system.
This page has links to 3 of Drexler’s designs with pdb files. Can you simulate those?
Building those would require tools that are quite different from what we have now.
I’ll try. 6,000 atoms is an order of magnitude or two more than a typical simulation for me, but I’ll make some approximations and see what i can do. Is there a specific property you’re interested in? Just metastability? The types of approximations that are valid depends strongle on what you want to know about your system.