This repo contains the AMBER-FB18 phosphorylated amino acid force field parameters from Stoppelman et al., J Phys Chem B 2021.
This repo, hosted by MolSSI, contains a series of exercises for students who are new to molecular dynamics simulations and assumes only basic Python knowledge. There’s more info available at the MolSSI Education website. Thank you to Jessica Nash, Ashley Ringer McDonald, Theresa Windus, Lee-Ping Wang, and Aurelia Ball for their contributions and assistance.
This repo, hosted by MolSSI, contains a series of exercises for students who are new to electronic structure calculations and assumes only basic Python knowledge. There’s more info available at the MolSSI Education website. Thank you to Jessica Nash, Ashley Ringer McDonald, Theresa Windus, Lee-Ping Wang, and Olaseni Sode for their contributions and assistance.