Tutorial Details: Introduction to CHARMM
|Date:||Thursday, July 8, 2010, 01:00 pm - 03:00 pm|
|Instructor(s):||Can Erol Ergenekan, MSI|
CHARMM (Chemistry at HARvard Macromolecular Mechanics) is a molecular simulation application suitable for studying biological molecules, including peptides, proteins, prosthetic groups, small molecule ligands, etc. The program provides a large suite of computational tools that encompass numerous conformational and path sampling methods, free energy estimates, energy minimization, dynamics, and analysis techniques.
This seminar will introduce the user to the basics of the program, how to purchase and run the program at MSI, how to get help when needed, the general layout of the various input and parameter files, and an overview of some of the more commonly used tools.