viktorbelay

Results 3 comments of viktorbelay

@mikemhenry Thank you for helping with this! Strange, here is my code: ```python from openff.toolkit.topology import Molecule from pkg_resources import resource_filename from perses.rjmc.atom_mapping import AtomMapper # Define path to SDF...

I can contribute a tutorial for working with systems involving lipid bilayers/membranes. Some examples would be setting up a protein:membrane system in OpenMM, simulating systems set up in CHARMMGUI, and...

@peastman @apayne97 Since there is a B2AR tutorial already, I'm thinking of putting together a more general CHARMMGUI/CHARMM cookbook and/or tutorial for OpenMM. I've done a lot of work with...