Advances in Biomolecular Modelling and Simulations using CHARMM
The CHARMM software is one of the oldest and most used packages for bio-molecular simulations. However, it is mainly used by researchers in the US. This tutorial will address a strong training need of the research groups associated with ACAM and other CECAM nodes throughout the EU. It will provide access to first-hand information and concrete examples on the modern simulation and analysis capabilities of the newest versions of CHARMM.
The main objective is to provide both introductory (basic training) and advanced examples on the usage of CHARMM to young researchers working in bio-molecular simulations. By completing this course, graduate students that were never exposed to CHARMM before, should be able to setup their own systems independently, and should learn where and how to access the recent help resources. At the same time, the advanced sessions will provide more experienced users an opportunity to update their knowledge about more recent capabilities of the CHARMM package. CHARMM is one of the most developed programs for molecular simulation and has a very broad range of features, addressing state-of-the-art topics in both analysis and simulation methods. This tutorial could fill in the need of a clear presentation given by some of the main developers themselves.