Thank you so much for reply. I'll read through the documentation of Molmodel, and post what I can do with it. Many thanks!

< answer by Peter Eastman peastman@stanford.edu > Unfortunately, there's no easy way to do that. Rigid body simulation involves very different techniques than all atom cartesian simulation, and OpenMM doesn't provide the tools to do it. On the other hand, we actually have another product specificall...

Hi all, I have a protein (~1200 residues) that consists of two domains (N: ~500 / C: ~700 residues each) and flexible linker (~20 residues) between N and C terminal domains. I would like to simulate how the N/C terminal domains can orient each other by moving the flexible linker only. I would treat ...