Welcome to BioKT-PLUMED-docs

This website is a resource aimed at researchers from the BioKT lab to have working examples of different types of molecular dynamics simulations that can be run using Gromacs patched with PLUMED. These examples borrow extensively from the fantastic PLUMED masterclasses. However, what we show here is necessarily less exhaustive and simply intended to provide working examples of methods we routinely employ.

Setup

Simulation methods

Running simulations with PLUMED at DIPC