As part of my efforts to implement mixed-resolution modeling in OpenMM, I'm working on an efficient and general Monte Carlo simulator. So far I have coded the Metropolis algorithm and backbone dihedral moves in Python. My code is attached in "mc-test4.txt" (the forum wouldn't allow me to attach file...

Right now I am practicing building Go-like models in OpenMM, by building the System directly myself in Python. I've just started working with OpenMM, and haven't yet started trying to build combined Go models/atomistic models. I'm trying to duplicate the functions of a code we have which does mixed-...

I am trying to see if OpenMM can be used to simulate a mixed-resolution model of proteins in which most of the protein is simulated using a coarse-grained Go model and the part near a ligand binding site is simulated using an all-atom force field (as discussed for example in Mamonov et al. JCTC 8, 2...